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]+ 212.04729 143.7
[M+Na]+ 234.02923 151.3
[M-H]- 210.03273 146.1
[M+NH4]+ 229.07383 162.4
[M+K]+ 250.00317 147.0
[M+H-H2O]+ 194.03727 139.0
[M+HCOO]- 256.03821 161.9
[M+CH3COO]- 270.05386 184.2
[M+Na-2H]- 232.01468 147.5
[M]+ 211.03946 143.8
[M]- 211.04056 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.