CID 31824

23280-37-7

Structural Information

Molecular Formula
C10H11Cl3N2O3S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C10H11Cl3N2O3S/c1-15(2)19(17,18)8-5-3-7(4-6-8)14-9(16)10(11,12)13/h3-6H,1-2H3,(H,14,16)
InChIKey
WVBWSUCQCYHTMJ-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-[4-(dimethylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.9556 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.96288 168.5
[M+Na]+ 366.94482 176.4
[M-H]- 342.94832 172.9
[M+NH4]+ 361.98942 183.9
[M+K]+ 382.91876 171.9
[M+H-H2O]+ 326.95286 165.3
[M+HCOO]- 388.95380 172.4
[M+CH3COO]- 402.96945 209.2
[M+Na-2H]- 364.93027 171.3
[M]+ 343.95505 174.5
[M]- 343.95615 174.5
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.