CID 77579

N-(3-chloro-4-hydroxyphenyl)acetamide

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
CC(=O)NC1=CC(=C(C=C1)O)Cl
InChI
InChI=1S/C8H8ClNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2-4,12H,1H3,(H,10,11)
InChIKey
JULKJDRBSRRBHT-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

139
Patents

185.02435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 134.8
[M+Na]+ 208.01357 144.1
[M-H]- 184.01707 137.8
[M+NH4]+ 203.05817 155.0
[M+K]+ 223.98751 140.4
[M+H-H2O]+ 168.02161 130.6
[M+HCOO]- 230.02255 154.4
[M+CH3COO]- 244.03820 180.0
[M+Na-2H]- 205.99902 140.2
[M]+ 185.02380 136.0
[M]- 185.02490 136.0
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