CID 2773672

2-chloro-6-fluoro-3-methylbenzyl alcohol

Structural Information

Molecular Formula
C8H8ClFO
SMILES
CC1=C(C(=C(C=C1)F)CO)Cl
InChI
InChI=1S/C8H8ClFO/c1-5-2-3-7(10)6(4-11)8(5)9/h2-3,11H,4H2,1H3
InChIKey
PQHOAHOMVOQUAU-UHFFFAOYSA-N
Compound name
(2-chloro-6-fluoro-3-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

174.02477 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.032046 129.2
[M+Na]+ 197.013988 140.3
[M-H]- 173.017494 131.1
[M+NH4]+ 192.058593 150.6
[M+K]+ 212.987928 135.9
[M+H-H2O]+ 157.022030 124.8
[M+HCOO]- 219.022971 147.3
[M+CH3COO]- 233.038621 177.7
[M+Na-2H]- 194.999436 134.6
[M]+ 174.02422142 130.4
[M]- 174.02531858 130.4
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