CID 13532

Chlorodinitromethane

Structural Information

Molecular Formula
CHClN2O4
SMILES
C([N+](=O)[O-])([N+](=O)[O-])Cl
InChI
InChI=1S/CHClN2O4/c2-1(3(5)6)4(7)8/h1H
InChIKey
ZRZHWNKHBGRJKD-UHFFFAOYSA-N
Compound name
chloro(dinitro)methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

139.96248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.96976 122.8
[M+Na]+ 162.95170 130.1
[M-H]- 138.95520 123.3
[M+NH4]+ 157.99630 142.7
[M+K]+ 178.92564 122.1
[M+H-H2O]+ 122.95974 129.0
[M+HCOO]- 184.96068 144.5
[M+CH3COO]- 198.97633 160.9
[M+Na-2H]- 160.93715 131.6
[M]+ 139.96193 121.0
[M]- 139.96303 121.0
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