CID 2737561

197239-49-9

Structural Information

Molecular Formula
C8H6F4O
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)CO
InChI
InChI=1S/C8H6F4O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2
InChIKey
IOCYBFIAGBIYJU-UHFFFAOYSA-N
Compound name
[2-fluoro-4-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

194.03548 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04276 133.2
[M+Na]+ 217.02470 143.2
[M-H]- 193.02820 131.0
[M+NH4]+ 212.06930 152.4
[M+K]+ 232.99864 139.8
[M+H-H2O]+ 177.03274 125.1
[M+HCOO]- 239.03368 150.9
[M+CH3COO]- 253.04933 180.8
[M+Na-2H]- 215.01015 138.3
[M]+ 194.03493 127.6
[M]- 194.03603 127.6
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