CID 123486

3-chloro-4-methylbenzyl alcohol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

156.0342 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe