CID 95179

Brn 3341883

Structural Information

Molecular Formula
C11H15Cl2NO2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=S(CCCl)CCCl
InChI
InChI=1S/C11H15Cl2NO2S2/c1-10-2-4-11(5-3-10)18(15,16)14-17(8-6-12)9-7-13/h2-5H,6-9H2,1H3
InChIKey
MQQWODPDLFEPPK-UHFFFAOYSA-N
Compound name
N-[bis(2-chloroethyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.99213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.99941 166.7
[M+Na]+ 349.98135 174.8
[M-H]- 325.98485 171.3
[M+NH4]+ 345.02595 183.2
[M+K]+ 365.95529 168.0
[M+H-H2O]+ 309.98939 162.3
[M+HCOO]- 371.99033 170.9
[M+CH3COO]- 386.00598 204.3
[M+Na-2H]- 347.96680 167.4
[M]+ 326.99158 173.6
[M]- 326.99268 173.6
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.