CID 158979

Brn 1825032

Structural Information

Molecular Formula
C9H3Br2N5O2
SMILES
C1=C(C=C(C(=C1Br)NN=C(C#N)C#N)Br)[N+](=O)[O-]
InChI
InChI=1S/C9H3Br2N5O2/c10-7-1-6(16(17)18)2-8(11)9(7)15-14-5(3-12)4-13/h1-2,15H
InChIKey
SGZCIKGDCWJIAK-UHFFFAOYSA-N
Compound name
2-[(2,6-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.86536 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.87264 155.2
[M+Na]+ 393.85458 164.9
[M-H]- 369.85808 156.8
[M+NH4]+ 388.89918 164.8
[M+K]+ 409.82852 150.0
[M+H-H2O]+ 353.86262 150.7
[M+HCOO]- 415.86356 170.4
[M+CH3COO]- 429.87921 233.5
[M+Na-2H]- 391.84003 158.1
[M]+ 370.86481 169.4
[M]- 370.86591 169.4
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.