CID 4312004

(3-chloro-4-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H9ClO2
SMILES
COC1=C(C=C(C=C1)CO)Cl
InChI
InChI=1S/C8H9ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
InChIKey
TZHJVLGDHRXGDX-UHFFFAOYSA-N
Compound name
(3-chloro-4-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

172.02911 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03639 130.6
[M+Na]+ 195.01833 140.7
[M-H]- 171.02183 133.6
[M+NH4]+ 190.06293 151.8
[M+K]+ 210.99227 137.3
[M+H-H2O]+ 155.02637 126.7
[M+HCOO]- 217.02731 150.0
[M+CH3COO]- 231.04296 175.8
[M+Na-2H]- 193.00378 137.2
[M]+ 172.02856 134.0
[M]- 172.02966 134.0
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