CID 53363828

875548-97-3

Structural Information

Molecular Formula
C18H18F4O2
SMILES
CC(C)C1=C(C=C(C(=C1)C2=C(C=C(C=C2)C(F)(F)F)CO)OC)F
InChI
InChI=1S/C18H18F4O2/c1-10(2)14-7-15(17(24-3)8-16(14)19)13-5-4-12(18(20,21)22)6-11(13)9-23/h4-8,10,23H,9H2,1-3H3
InChIKey
XSZIJSCGSTXKKI-UHFFFAOYSA-N
Compound name
[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

342.1243 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13158 176.4
[M+Na]+ 365.11352 185.8
[M-H]- 341.11702 177.3
[M+NH4]+ 360.15812 189.9
[M+K]+ 381.08746 180.6
[M+H-H2O]+ 325.12156 166.0
[M+HCOO]- 387.12250 191.3
[M+CH3COO]- 401.13815 212.9
[M+Na-2H]- 363.09897 175.4
[M]+ 342.12375 174.0
[M]- 342.12485 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe