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

215
Patents

172.02911 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.036386 130.6
[M+Na]+ 195.018328 140.7
[M-H]- 171.021834 133.6
[M+NH4]+ 190.062933 151.8
[M+K]+ 210.992268 137.3
[M+H-H2O]+ 155.026370 126.7
[M+HCOO]- 217.027311 150.0
[M+CH3COO]- 231.042961 175.8
[M+Na-2H]- 193.003776 137.2
[M]+ 172.02856142 134.0
[M]- 172.02965858 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