CID 87052

17328-16-4

Structural Information

Molecular Formula
C16H14Cl2N2O4S
SMILES
C1=CC(=CC=C1NC(=O)CCl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCl
InChI
InChI=1S/C16H14Cl2N2O4S/c17-9-15(21)19-11-1-5-13(6-2-11)25(23,24)14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKey
SHRCVZJKZJGIHQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-[4-[(2-chloroacetyl)amino]phenyl]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

15
Patents

400.00513 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.01241 185.2
[M+Na]+ 422.99435 192.3
[M-H]- 398.99785 191.7
[M+NH4]+ 418.03895 197.2
[M+K]+ 438.96829 185.9
[M+H-H2O]+ 383.00239 179.3
[M+HCOO]- 445.00333 194.3
[M+CH3COO]- 459.01898 217.7
[M+Na-2H]- 420.97980 187.2
[M]+ 400.00458 191.1
[M]- 400.00568 191.1
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