CID 66832

2-bromo-6-chloro-4-nitroaniline

Structural Information

Molecular Formula
C6H4BrClN2O2
SMILES
C1=C(C=C(C(=C1Cl)N)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H4BrClN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChIKey
GLUCALKKMFBJEB-UHFFFAOYSA-N
Compound name
2-bromo-6-chloro-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

286
Patents

249.91447 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe