CID 3046722

2-chloro-2-nitroethanol

Structural Information

Molecular Formula
C2H4ClNO3
SMILES
C(C([N+](=O)[O-])Cl)O
InChI
InChI=1S/C2H4ClNO3/c3-2(1-5)4(6)7/h2,5H,1H2
InChIKey
HXHLTSSXMWHLGK-UHFFFAOYSA-N
Compound name
2-chloro-2-nitroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

124.98797 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.99525 116.6
[M+Na]+ 147.97719 128.1
[M+NH4]+ 143.02179 124.7
[M+K]+ 163.95113 126.4
[M-H]- 123.98069 116.6
[M+Na-2H]- 145.96264 120.4
[M]+ 124.98742 118.2
[M]- 124.98852 118.2
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