CID 5107660

[4-(chloromethyl)phenyl]methanol

Structural Information

Molecular Formula
C8H9ClO
SMILES
C1=CC(=CC=C1CO)CCl
InChI
InChI=1S/C8H9ClO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2
InChIKey
OGALXJIOJZXBBP-UHFFFAOYSA-N
Compound name
[4-(chloromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

929
Patents

156.0342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.041476 128.3
[M+Na]+ 179.023418 137.4
[M-H]- 155.026924 130.8
[M+NH4]+ 174.068023 149.8
[M+K]+ 194.997358 133.4
[M+H-H2O]+ 139.031460 124.2
[M+HCOO]- 201.032401 147.4
[M+CH3COO]- 215.048051 172.7
[M+Na-2H]- 177.008866 135.5
[M]+ 156.03365142 129.7
[M]- 156.03474858 129.7
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