CID 3854691

N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=C(C=C(C=C1)NC(=O)CC#N)Cl
InChI
InChI=1S/C10H9ClN2O2/c1-15-9-3-2-7(6-8(9)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14)
InChIKey
LVBZGBGZBJPXKO-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.042526 147.9
[M+Na]+ 247.024468 158.7
[M-H]- 223.027974 151.4
[M+NH4]+ 242.069073 165.1
[M+K]+ 262.998408 154.5
[M+H-H2O]+ 207.032510 136.3
[M+HCOO]- 269.033451 165.0
[M+CH3COO]- 283.049101 201.2
[M+Na-2H]- 245.009916 152.2
[M]+ 224.03470142 146.1
[M]- 224.03579858 146.1
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.