CID 110116

Benzenediazonium, 2-bromo-4,6-dinitro-, sulfate (2:1)

Structural Information

Molecular Formula
C6H2BrN4O4
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])[N+]#N)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H2BrN4O4/c7-4-1-3(10(12)13)2-5(11(14)15)6(4)9-8/h1-2H/q+1
InChIKey
YTSQHKXSYRJOBP-UHFFFAOYSA-N
Compound name
2-bromo-4,6-dinitrobenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.92593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.93321 160.0
[M+Na]+ 295.91515 171.0
[M-H]- 271.91865 165.2
[M+NH4]+ 290.95975 174.9
[M+K]+ 311.88909 150.6
[M+H-H2O]+ 255.92319 160.6
[M+HCOO]- 317.92413 182.3
[M+CH3COO]- 331.93978 195.2
[M+Na-2H]- 293.90060 169.4
[M]+ 272.92538 168.9
[M]- 272.92648 168.9
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

patents stripe