CID 15499631

3-chloro-n-hydroxypropanamide

Structural Information

Molecular Formula
C3H6ClNO2
SMILES
C(CCl)C(=O)NO
InChI
InChI=1S/C3H6ClNO2/c4-2-1-3(6)5-7/h7H,1-2H2,(H,5,6)
InChIKey
TWPQMKAIJRMOGL-UHFFFAOYSA-N
Compound name
3-chloro-N-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

123.008705 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.015981 120.4
[M+Na]+ 145.997923 128.4
[M-H]- 122.001429 119.7
[M+NH4]+ 141.042528 142.6
[M+K]+ 161.971863 126.5
[M+H-H2O]+ 106.005965 117.2
[M+HCOO]- 168.006906 139.9
[M+CH3COO]- 182.022556 167.3
[M+Na-2H]- 143.983371 127.0
[M]+ 123.00815642 121.0
[M]- 123.00925358 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

No literature data available for this compound.

Patent stripe

patents stripe