CID 6435661

3-chloro-4'-hydroxycrotonanilide

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
C/C(=C/C(=O)NC1=CC=C(C=C1)O)/Cl
InChI
InChI=1S/C10H10ClNO2/c1-7(11)6-10(14)12-8-2-4-9(13)5-3-8/h2-6,13H,1H3,(H,12,14)/b7-6-
InChIKey
WZFJKTHDWJDCPG-SREVYHEPSA-N
Compound name
(Z)-3-chloro-N-(4-hydroxyphenyl)but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04001 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.047286 143.7
[M+Na]+ 234.029228 151.3
[M-H]- 210.032734 146.1
[M+NH4]+ 229.073833 162.4
[M+K]+ 250.003168 147.0
[M+H-H2O]+ 194.037270 139.0
[M+HCOO]- 256.038211 161.9
[M+CH3COO]- 270.053861 184.2
[M+Na-2H]- 232.014676 147.5
[M]+ 211.03946142 143.8
[M]- 211.04055858 143.8
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.