CID 3078901

Brn 3624701

Structural Information

Molecular Formula
C10H9Cl3N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C10H9Cl3N2O4S/c1-6-2-4-7(5-3-6)20(18,19)15-9(17)14-8(16)10(11,12)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKey
LRMLKMTZWHAJTN-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.93488 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.94216 170.0
[M+Na]+ 380.92410 177.6
[M-H]- 356.92760 173.2
[M+NH4]+ 375.96870 184.2
[M+K]+ 396.89804 172.4
[M+H-H2O]+ 340.93214 167.2
[M+HCOO]- 402.93308 173.0
[M+CH3COO]- 416.94873 206.9
[M+Na-2H]- 378.90955 172.8
[M]+ 357.93433 174.7
[M]- 357.93543 174.7
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.