CID 134241699

Tfpo-cf2-3hitft

Structural Information

Molecular Formula
C37H26F8O
SMILES
CCCC1CC2=C(C1)C=C(C=C2)C3=CC=C(C=C3)C4=CC(=C(C=C4)C5=CC(=C(C(=C5)F)C(OC6=CC(=C(C(=C6)F)F)F)(F)F)F)F
InChI
InChI=1S/C37H26F8O/c1-2-3-20-12-23-8-9-24(14-26(23)13-20)21-4-6-22(7-5-21)25-10-11-29(30(38)15-25)27-16-31(39)35(32(40)17-27)37(44,45)46-28-18-33(41)36(43)34(42)19-28/h4-11,14-20H,2-3,12-13H2,1H3
InChIKey
RPECZCYGIZYQHF-UHFFFAOYSA-N
Compound name
5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

638.1856 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.19288 263.4
[M+Na]+ 661.17482 273.9
[M-H]- 637.17832 269.9
[M+NH4]+ 656.21942 266.8
[M+K]+ 677.14876 261.6
[M+H-H2O]+ 621.18286 243.7
[M+HCOO]- 683.18380 271.1
[M+CH3COO]- 697.19945 267.0
[M+Na-2H]- 659.16027 251.7
[M]+ 638.18505 256.9
[M]- 638.18615 256.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe