CID 11673

2-chloro-2-nitropropane

Structural Information

Molecular Formula
C3H6ClNO2
SMILES
CC(C)([N+](=O)[O-])Cl
InChI
InChI=1S/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3
InChIKey
JQYFSFNSNVRUPY-UHFFFAOYSA-N
Compound name
2-chloro-2-nitropropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

82
Patents

123.008705 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.01598 119.8
[M+Na]+ 145.99792 128.6
[M-H]- 122.00143 120.7
[M+NH4]+ 141.04253 142.5
[M+K]+ 161.97186 123.8
[M+H-H2O]+ 106.00596 122.3
[M+HCOO]- 168.00691 139.9
[M+CH3COO]- 182.02256 163.5
[M+Na-2H]- 143.98337 129.6
[M]+ 123.00816 120.3
[M]- 123.00925 120.3
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

No patent data available for this compound.