CID 14577494

2-bromo-3-nitroaniline

Structural Information

Molecular Formula
C6H5BrN2O2
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])Br)N
InChI
InChI=1S/C6H5BrN2O2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H,8H2
InChIKey
GDKBUWQOCGJBFX-UHFFFAOYSA-N
Compound name
2-bromo-3-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

215.95345 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96073 135.4
[M+Na]+ 238.94267 146.7
[M-H]- 214.94617 141.7
[M+NH4]+ 233.98727 156.4
[M+K]+ 254.91661 132.0
[M+H-H2O]+ 198.95071 139.0
[M+HCOO]- 260.95165 159.6
[M+CH3COO]- 274.96730 180.4
[M+Na-2H]- 236.92812 144.3
[M]+ 215.95290 151.4
[M]- 215.95400 151.4
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