CID 46875

64049-31-6

Structural Information

Molecular Formula
C7H12Cl2N2O3
SMILES
C(C(CNC(=O)CCl)O)NC(=O)CCl
InChI
InChI=1S/C7H12Cl2N2O3/c8-1-6(13)10-3-5(12)4-11-7(14)2-9/h5,12H,1-4H2,(H,10,13)(H,11,14)
InChIKey
OVIWEMMMWRKKNH-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-[(2-chloroacetyl)amino]-2-hydroxypropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

242.02249 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02977 149.8
[M+Na]+ 265.01171 155.5
[M-H]- 241.01521 148.1
[M+NH4]+ 260.05631 167.1
[M+K]+ 280.98565 151.9
[M+H-H2O]+ 225.01975 146.5
[M+HCOO]- 287.02069 162.7
[M+CH3COO]- 301.03634 191.4
[M+Na-2H]- 262.99716 151.4
[M]+ 242.02194 151.7
[M]- 242.02304 151.7
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

patents stripe