CID 17044

1-chloro-2-nitropropane

Structural Information

Molecular Formula
C3H6ClNO2
SMILES
CC(CCl)[N+](=O)[O-]
InChI
InChI=1S/C3H6ClNO2/c1-3(2-4)5(6)7/h3H,2H2,1H3
InChIKey
FPJNQQRSBJPGHM-UHFFFAOYSA-N
Compound name
1-chloro-2-nitropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2279
Patents

123.008705 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.01598 120.4
[M+Na]+ 145.99792 128.5
[M-H]- 122.00143 120.9
[M+NH4]+ 141.04253 142.8
[M+K]+ 161.97186 123.7
[M+H-H2O]+ 106.00596 122.3
[M+HCOO]- 168.00691 141.0
[M+CH3COO]- 182.02256 164.1
[M+Na-2H]- 143.98337 127.8
[M]+ 123.00816 120.7
[M]- 123.00925 120.7
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.