CID 11341

1-bromo-2-nitrobenzene

Structural Information

Molecular Formula
C6H4BrNO2
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])Br
InChI
InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChIKey
ORPVVAKYSXQCJI-UHFFFAOYSA-N
Compound name
1-bromo-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

5689
Patents

200.94254 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.94982 132.2
[M+Na]+ 223.93176 143.8
[M-H]- 199.93526 139.0
[M+NH4]+ 218.97636 154.3
[M+K]+ 239.90570 130.0
[M+H-H2O]+ 183.93980 136.8
[M+HCOO]- 245.94074 156.3
[M+CH3COO]- 259.95639 175.8
[M+Na-2H]- 221.91721 142.6
[M]+ 200.94199 149.7
[M]- 200.94309 149.7
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