CID 3049423

Brn 1825031

Structural Information

Molecular Formula
C9H3BrClN5O2
SMILES
C1=C(C=C(C(=C1Cl)NN=C(C#N)C#N)Br)[N+](=O)[O-]
InChI
InChI=1S/C9H3BrClN5O2/c10-7-1-6(16(17)18)2-8(11)9(7)15-14-5(3-12)4-13/h1-2,15H
InChIKey
QXFYYHBRQMVLBA-UHFFFAOYSA-N
Compound name
2-[(2-bromo-6-chloro-4-nitrophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.91586 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.92314 171.4
[M+Na]+ 349.90508 182.7
[M-H]- 325.90858 174.6
[M+NH4]+ 344.94968 182.4
[M+K]+ 365.87902 170.0
[M+H-H2O]+ 309.91312 162.2
[M+HCOO]- 371.91406 185.0
[M+CH3COO]- 385.92971 227.5
[M+Na-2H]- 347.89053 173.5
[M]+ 326.91531 175.4
[M]- 326.91641 175.4
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.