CID 43477762

2-chloro-n-(4-hydroxyphenyl)propanamide

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CC(C(=O)NC1=CC=C(C=C1)O)Cl
InChI
InChI=1S/C9H10ClNO2/c1-6(10)9(13)11-7-2-4-8(12)5-3-7/h2-6,12H,1H3,(H,11,13)
InChIKey
AZQBYBZSCWQQMR-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-hydroxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.04001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 139.9
[M+Na]+ 222.02923 147.6
[M-H]- 198.03273 142.4
[M+NH4]+ 217.07383 159.1
[M+K]+ 238.00317 144.1
[M+H-H2O]+ 182.03727 135.3
[M+HCOO]- 244.03821 158.2
[M+CH3COO]- 258.05386 182.8
[M+Na-2H]- 220.01468 144.3
[M]+ 199.03946 140.5
[M]- 199.04056 140.5
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