CID 13825

Bromodinitromethane

Structural Information

Molecular Formula
CHBrN2O4
SMILES
C([N+](=O)[O-])([N+](=O)[O-])Br
InChI
InChI=1S/CHBrN2O4/c2-1(3(5)6)4(7)8/h1H
InChIKey
GJPMCGKOSHNWNL-UHFFFAOYSA-N
Compound name
bromo(dinitro)methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.91197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.91925 130.7
[M+Na]+ 206.90119 141.0
[M-H]- 182.90469 134.2
[M+NH4]+ 201.94579 151.6
[M+K]+ 222.87513 125.1
[M+H-H2O]+ 166.90923 139.0
[M+HCOO]- 228.91017 154.0
[M+CH3COO]- 242.92582 168.5
[M+Na-2H]- 204.88664 140.6
[M]+ 183.91142 146.1
[M]- 183.91252 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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