CID 2757669

129716-11-6

Structural Information

Molecular Formula
C8H9ClO
SMILES
CC1=C(C=CC(=C1)Cl)CO
InChI
InChI=1S/C8H9ClO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3
InChIKey
AHXBDGJNZJKLNE-UHFFFAOYSA-N
Compound name
(4-chloro-2-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

154
Patents

156.0342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.041476 127.6
[M+Na]+ 179.023418 137.7
[M-H]- 155.026924 130.5
[M+NH4]+ 174.068023 149.5
[M+K]+ 194.997358 133.8
[M+H-H2O]+ 139.031460 123.9
[M+HCOO]- 201.032401 146.7
[M+CH3COO]- 215.048051 173.8
[M+Na-2H]- 177.008866 134.2
[M]+ 156.03365142 129.5
[M]- 156.03474858 129.5
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