CID 6517693

Acetic acid, ((3-chlorophenyl)hydrazono)cyano-, methyl ester

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
COC(=O)/C(=N\NC1=CC(=CC=C1)Cl)/C#N
InChI
InChI=1S/C10H8ClN3O2/c1-16-10(15)9(6-12)14-13-8-4-2-3-7(11)5-8/h2-5,13H,1H3/b14-9-
InChIKey
VWFBNRGXDCXMOJ-ZROIWOOFSA-N
Compound name
methyl (2Z)-2-[(3-chlorophenyl)hydrazinylidene]-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0305 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.037776 153.9
[M+Na]+ 260.019718 163.3
[M-H]- 236.023224 158.1
[M+NH4]+ 255.064323 170.4
[M+K]+ 275.993658 159.9
[M+H-H2O]+ 220.027760 141.4
[M+HCOO]- 282.028701 172.3
[M+CH3COO]- 296.044351 206.4
[M+Na-2H]- 258.005166 158.0
[M]+ 237.02995142 151.4
[M]- 237.03104858 151.4
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.