CID 68423

Bromonitromethane

Structural Information

Molecular Formula
CH2BrNO2
SMILES
C([N+](=O)[O-])Br
InChI
InChI=1S/CH2BrNO2/c2-1-3(4)5/h1H2
InChIKey
DNPRVXJGNANVCZ-UHFFFAOYSA-N
Compound name
bromo(nitro)methane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

668
Patents

138.9269 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.93418 117.6
[M+Na]+ 161.91612 129.6
[M-H]- 137.91962 121.4
[M+NH4]+ 156.96072 142.0
[M+K]+ 177.89006 117.1
[M+H-H2O]+ 121.92416 123.0
[M+HCOO]- 183.92510 141.6
[M+CH3COO]- 197.94075 165.2
[M+Na-2H]- 159.90157 128.5
[M]+ 138.92635 135.1
[M]- 138.92745 135.1
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