CID 26599156

4-bromo-3-chloro-2-nitroaniline

Structural Information

Molecular Formula
C6H4BrClN2O2
SMILES
C1=CC(=C(C(=C1N)[N+](=O)[O-])Cl)Br
InChI
InChI=1S/C6H4BrClN2O2/c7-3-1-2-4(9)6(5(3)8)10(11)12/h1-2H,9H2
InChIKey
CQFJUGCVNFUHRZ-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

249.91447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.921746 141.7
[M+Na]+ 272.903688 154.4
[M-H]- 248.907194 147.9
[M+NH4]+ 267.948293 162.3
[M+K]+ 288.877628 137.9
[M+H-H2O]+ 232.911730 146.4
[M+HCOO]- 294.912671 161.4
[M+CH3COO]- 308.928321 185.1
[M+Na-2H]- 270.889136 149.4
[M]+ 249.91392142 159.7
[M]- 249.91501858 159.7
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