CID 5392737

Brn 0654416

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0305 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03778 153.9
[M+Na]+ 260.01972 163.3
[M-H]- 236.02322 158.1
[M+NH4]+ 255.06432 170.4
[M+K]+ 275.99366 159.9
[M+H-H2O]+ 220.02776 141.4
[M+HCOO]- 282.02870 172.3
[M+CH3COO]- 296.04435 206.4
[M+Na-2H]- 258.00517 158.0
[M]+ 237.02995 151.4
[M]- 237.03105 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.