CID 3549393

55685-75-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

172.02911 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe