CID 28669

17641-10-0

Structural Information

Molecular Formula
C10H9Cl2NO3
SMILES
C1=CC(=CC=C1NC(=O)CCl)OC(=O)CCl
InChI
InChI=1S/C10H9Cl2NO3/c11-5-9(14)13-7-1-3-8(4-2-7)16-10(15)6-12/h1-4H,5-6H2,(H,13,14)
InChIKey
NCHAQEGVLDMYGR-UHFFFAOYSA-N
Compound name
[4-[(2-chloroacetyl)amino]phenyl] 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.99594 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00322 151.1
[M+Na]+ 283.98516 159.4
[M-H]- 259.98866 154.3
[M+NH4]+ 279.02976 168.9
[M+K]+ 299.95910 155.1
[M+H-H2O]+ 243.99320 146.8
[M+HCOO]- 305.99414 166.0
[M+CH3COO]- 320.00979 193.4
[M+Na-2H]- 281.97061 154.9
[M]+ 260.99539 155.8
[M]- 260.99649 155.8
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.