CID 2737562

230295-16-6

Structural Information

Molecular Formula
C8H6F4O
SMILES
C1=CC(=C(C=C1CO)F)C(F)(F)F
InChI
InChI=1S/C8H6F4O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3,13H,4H2
InChIKey
MTBRNORZNYPTIU-UHFFFAOYSA-N
Compound name
[3-fluoro-4-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
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

No literature data available for this compound.

Patent stripe

patents stripe