CID 71811659

Tfpo-cf2-2hidfp

Structural Information

Molecular Formula
C24H17F7O
SMILES
CCC1CC2=C(C1)C=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F
InChI
InChI=1S/C24H17F7O/c1-2-12-5-13-3-4-14(7-15(13)6-12)16-8-18(25)22(19(26)9-16)24(30,31)32-17-10-20(27)23(29)21(28)11-17/h3-4,7-12H,2,5-6H2,1H3
InChIKey
UWNXZUMHJWJXQQ-UHFFFAOYSA-N
Compound name
5-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-2-ethyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

454.11676 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.12404 206.7
[M+Na]+ 477.10598 218.5
[M-H]- 453.10948 209.3
[M+NH4]+ 472.15058 218.8
[M+K]+ 493.07992 209.3
[M+H-H2O]+ 437.11402 192.3
[M+HCOO]- 499.11496 218.6
[M+CH3COO]- 513.13061 236.0
[M+Na-2H]- 475.09143 201.3
[M]+ 454.11621 200.9
[M]- 454.11731 200.9
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