CID 22428

((2-nitro-p-tolyl)azo)malononitrile

Structural Information

Molecular Formula
C10H7N5O2
SMILES
CC1=CC(=C(C=C1)N=NC(C#N)C#N)[N+](=O)[O-]
InChI
InChI=1S/C10H7N5O2/c1-7-2-3-9(10(4-7)15(16)17)14-13-8(5-11)6-12/h2-4,8H,1H3
InChIKey
JHYHIEBZIXAERA-UHFFFAOYSA-N
Compound name
2-[(4-methyl-2-nitrophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05997 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06725 167.6
[M+Na]+ 252.04919 175.6
[M-H]- 228.05269 171.9
[M+NH4]+ 247.09379 178.6
[M+K]+ 268.02313 171.4
[M+H-H2O]+ 212.05723 154.1
[M+HCOO]- 274.05817 183.1
[M+CH3COO]- 288.07382 222.8
[M+Na-2H]- 250.03464 169.7
[M]+ 229.05942 159.0
[M]- 229.06052 159.0
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.