CID 18095

Methane, dibromodinitro-

Structural Information

Molecular Formula
CBr2N2O4
SMILES
C([N+](=O)[O-])([N+](=O)[O-])(Br)Br
InChI
InChI=1S/CBr2N2O4/c2-1(3,4(6)7)5(8)9
InChIKey
JIGXJPOHCLQGRZ-UHFFFAOYSA-N
Compound name
dibromo(dinitro)methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

261.82248 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.82976 145.6
[M+Na]+ 284.81170 155.7
[M-H]- 260.81520 150.0
[M+NH4]+ 279.85630 163.8
[M+K]+ 300.78564 135.1
[M+H-H2O]+ 244.81974 158.6
[M+HCOO]- 306.82068 162.6
[M+CH3COO]- 320.83633 188.6
[M+Na-2H]- 282.79715 155.5
[M]+ 261.82193 177.3
[M]- 261.82303 177.3
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