CID 37613

2-nitro-5-chlorobenzylidenemalononitrile

Structural Information

Molecular Formula
C10H4ClN3O2
SMILES
C1=CC(=C(C=C1Cl)C=C(C#N)C#N)[N+](=O)[O-]
InChI
InChI=1S/C10H4ClN3O2/c11-9-1-2-10(14(15)16)8(4-9)3-7(5-12)6-13/h1-4H
InChIKey
MUIMNNXACJFJHJ-UHFFFAOYSA-N
Compound name
2-[(5-chloro-2-nitrophenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.9992 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.00648 167.7
[M+Na]+ 255.98842 177.7
[M-H]- 231.99192 170.8
[M+NH4]+ 251.03302 179.3
[M+K]+ 271.96236 170.3
[M+H-H2O]+ 215.99646 156.3
[M+HCOO]- 277.99740 177.8
[M+CH3COO]- 292.01305 215.4
[M+Na-2H]- 253.97387 168.7
[M]+ 232.99865 159.5
[M]- 232.99975 159.5
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.