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

104
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

literature stripe

Patent stripe

patents stripe