CID 2172058

379255-52-4

Structural Information

Molecular Formula
C11H8ClN3O5S2
SMILES
C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CN=C(S2)NC(=O)CCl
InChI
InChI=1S/C11H8ClN3O5S2/c12-5-9(16)14-11-13-6-10(21-11)22(19,20)8-3-1-7(2-4-8)15(17)18/h1-4,6H,5H2,(H,13,14,16)
InChIKey
MSWLLKPVXVYPBJ-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

360.95938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.96666 175.7
[M+Na]+ 383.94860 182.4
[M-H]- 359.95210 181.5
[M+NH4]+ 378.99320 188.4
[M+K]+ 399.92254 172.7
[M+H-H2O]+ 343.95664 174.0
[M+HCOO]- 405.95758 185.5
[M+CH3COO]- 419.97323 199.7
[M+Na-2H]- 381.93405 179.9
[M]+ 360.95883 178.1
[M]- 360.95993 178.1
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

No patent data available for this compound.