CID 2757669

4-chloro-2-methylbenzyl alcohol

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

146
Patents

156.0342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04148 127.6
[M+Na]+ 179.02342 142.5
[M+NH4]+ 174.06802 137.5
[M+K]+ 194.99736 135.0
[M-H]- 155.02692 130.3
[M+Na-2H]- 177.00887 135.5
[M]+ 156.03365 130.9
[M]- 156.03475 130.9
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