CID 117962317

Tfpo-cf2-2hifp

Structural Information

Molecular Formula
C24H18F6O
SMILES
CCC1CC2=C(C1)C=C(C=C2)C3=CC(=C(C=C3)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F
InChI
InChI=1S/C24H18F6O/c1-2-13-7-14-3-4-15(9-17(14)8-13)16-5-6-19(20(25)10-16)24(29,30)31-18-11-21(26)23(28)22(27)12-18/h3-6,9-13H,2,7-8H2,1H3
InChIKey
HPOBAUYWFTVTMB-UHFFFAOYSA-N
Compound name
5-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

436.1262 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.13348 203.1
[M+Na]+ 459.11542 213.9
[M-H]- 435.11892 206.7
[M+NH4]+ 454.16002 215.7
[M+K]+ 475.08936 205.1
[M+H-H2O]+ 419.12346 189.4
[M+HCOO]- 481.12440 216.1
[M+CH3COO]- 495.14005 232.1
[M+Na-2H]- 457.10087 199.0
[M]+ 436.12565 198.1
[M]- 436.12675 198.1
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