CID 10419647

2-chloro-4-(2-hydroxyethyl)phenol

Structural Information

Molecular Formula
C8H9ClO2
SMILES
C1=CC(=C(C=C1CCO)Cl)O
InChI
InChI=1S/C8H9ClO2/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5,10-11H,3-4H2
InChIKey
ZGAMFWSQAUCSGB-UHFFFAOYSA-N
Compound name
2-chloro-4-(2-hydroxyethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

172.02911 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03639 131.3
[M+Na]+ 195.01833 140.9
[M-H]- 171.02183 132.8
[M+NH4]+ 190.06293 151.7
[M+K]+ 210.99227 136.5
[M+H-H2O]+ 155.02637 127.6
[M+HCOO]- 217.02731 149.2
[M+CH3COO]- 231.04296 173.2
[M+Na-2H]- 193.00378 137.3
[M]+ 172.02856 132.7
[M]- 172.02966 132.7
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