CID 11064884

2-bromo-4-chloro-6-nitroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

249.91447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92175 141.7
[M+Na]+ 272.90369 154.4
[M-H]- 248.90719 147.9
[M+NH4]+ 267.94829 162.3
[M+K]+ 288.87763 137.9
[M+H-H2O]+ 232.91173 146.4
[M+HCOO]- 294.91267 161.4
[M+CH3COO]- 308.92832 185.1
[M+Na-2H]- 270.88914 149.4
[M]+ 249.91392 159.7
[M]- 249.91502 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