CID 3069749

Brn 5107390

Structural Information

Molecular Formula
C11H13Cl3N2O3S
SMILES
CC(=NOC(C(Cl)(Cl)Cl)NS(=O)(=O)C1=CC=CC=C1)C
InChI
InChI=1S/C11H13Cl3N2O3S/c1-8(2)15-19-10(11(12,13)14)16-20(17,18)9-6-4-3-5-7-9/h3-7,10,16H,1-2H3
InChIKey
UMGMXICUAIEOBS-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(propan-2-ylideneamino)oxyethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.97125 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.97853 173.2
[M+Na]+ 380.96047 179.9
[M-H]- 356.96397 177.1
[M+NH4]+ 376.00507 187.8
[M+K]+ 396.93441 175.0
[M+H-H2O]+ 340.96851 169.5
[M+HCOO]- 402.96945 176.8
[M+CH3COO]- 416.98510 210.9
[M+Na-2H]- 378.94592 176.1
[M]+ 357.97070 179.1
[M]- 357.97180 179.1
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.