CID 205612

Brn 3624342

Structural Information

Molecular Formula
C9H7Cl3N2O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C9H7Cl3N2O4S/c10-9(11,12)7(15)13-8(16)14-19(17,18)6-4-2-1-3-5-6/h1-5H,(H2,13,14,15,16)
InChIKey
QKCCAZCOKNGFCB-UHFFFAOYSA-N
Compound name
N-(benzenesulfonylcarbamoyl)-2,2,2-trichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.91922 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.92650 165.9
[M+Na]+ 366.90844 173.2
[M-H]- 342.91194 169.0
[M+NH4]+ 361.95304 180.4
[M+K]+ 382.88238 168.1
[M+H-H2O]+ 326.91648 163.1
[M+HCOO]- 388.91742 169.2
[M+CH3COO]- 402.93307 202.8
[M+Na-2H]- 364.89389 169.8
[M]+ 343.91867 170.0
[M]- 343.91977 170.0
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.