CID 11469989

2-bromo-6-nitroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5604
Patents

215.95345 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe