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 143.9
[M+Na]+ 234.02923 155.6
[M+NH4]+ 229.07383 151.5
[M+K]+ 250.00317 149.7
[M-H]- 210.03273 145.1
[M+Na-2H]- 232.01468 149.5
[M]+ 211.03946 145.9
[M]- 211.04056 145.9
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.