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

362
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

literature stripe

Patent stripe

patents stripe