CID 2734209

79538-03-7

Structural Information

Molecular Formula
C8H6F4O
SMILES
CC1=C(C(=C(C(=C1F)F)CO)F)F
InChI
InChI=1S/C8H6F4O/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h13H,2H2,1H3
InChIKey
PJCSTULKVNHEGW-UHFFFAOYSA-N
Compound name
(2,3,5,6-tetrafluoro-4-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

345
Patents

194.03548 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04276 131.0
[M+Na]+ 217.02470 143.2
[M-H]- 193.02820 129.6
[M+NH4]+ 212.06930 151.0
[M+K]+ 232.99864 139.6
[M+H-H2O]+ 177.03274 123.1
[M+HCOO]- 239.03368 150.3
[M+CH3COO]- 253.04933 184.7
[M+Na-2H]- 215.01015 133.5
[M]+ 194.03493 127.2
[M]- 194.03603 127.2
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

No patent data available for this compound.