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

17
Patents

123.008705 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.01598 120.4
[M+Na]+ 145.99792 128.4
[M-H]- 122.00143 119.7
[M+NH4]+ 141.04253 142.6
[M+K]+ 161.97186 126.5
[M+H-H2O]+ 106.00596 117.2
[M+HCOO]- 168.00691 139.9
[M+CH3COO]- 182.02256 167.3
[M+Na-2H]- 143.98337 127.0
[M]+ 123.00816 121.0
[M]- 123.00925 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