CID 21271175

3-(bromomethyl)-2-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

215.95345 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.960726 134.6
[M+Na]+ 238.942668 146.1
[M-H]- 214.946174 140.0
[M+NH4]+ 233.987273 154.9
[M+K]+ 254.916608 132.1
[M+H-H2O]+ 198.950710 138.3
[M+HCOO]- 260.951651 157.5
[M+CH3COO]- 274.967301 178.3
[M+Na-2H]- 236.928116 145.4
[M]+ 215.95290142 152.5
[M]- 215.95399858 152.5
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