CID 101107

1-(4-chlorophenyl)ethane-1,2-diol

Structural Information

Molecular Formula
C8H9ClO2
SMILES
C1=CC(=CC=C1C(CO)O)Cl
InChI
InChI=1S/C8H9ClO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2
InChIKey
QIVMDIMEYSDOSD-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

100
Patents

172.02911 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03639 131.8
[M+Na]+ 195.01833 140.3
[M-H]- 171.02183 133.0
[M+NH4]+ 190.06293 151.9
[M+K]+ 210.99227 136.3
[M+H-H2O]+ 155.02637 128.0
[M+HCOO]- 217.02731 148.7
[M+CH3COO]- 231.04296 172.9
[M+Na-2H]- 193.00378 137.3
[M]+ 172.02856 132.3
[M]- 172.02966 132.3
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

No patent data available for this compound.