CID 131430346

4-bromo-5-iodo-2-nitroaniline

Structural Information

Molecular Formula
C6H4BrIN2O2
SMILES
C1=C(C(=CC(=C1I)Br)[N+](=O)[O-])N
InChI
InChI=1S/C6H4BrIN2O2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H,9H2
InChIKey
CBZXYNIGTCAUBQ-UHFFFAOYSA-N
Compound name
4-bromo-5-iodo-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.8501 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.85738 156.9
[M+Na]+ 364.83932 161.6
[M-H]- 340.84282 156.6
[M+NH4]+ 359.88392 172.4
[M+K]+ 380.81326 152.7
[M+H-H2O]+ 324.84736 156.2
[M+HCOO]- 386.84830 175.4
[M+CH3COO]- 400.86395 192.3
[M+Na-2H]- 362.82477 152.4
[M]+ 341.84955 169.5
[M]- 341.85065 169.5
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.