CID 188726

113267-99-5

Structural Information

Molecular Formula
C13H12Cl2N2O2S
SMILES
CS(=O)(=O)N(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H12Cl2N2O2S/c1-20(18,19)17(9-10-3-2-6-16-8-10)13-5-4-11(14)7-12(13)15/h2-8H,9H2,1H3
InChIKey
JSSTZBULFGEIFS-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

329.99966 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.00694 167.8
[M+Na]+ 352.98888 177.7
[M-H]- 328.99238 174.7
[M+NH4]+ 348.03348 182.7
[M+K]+ 368.96282 172.0
[M+H-H2O]+ 312.99692 161.3
[M+HCOO]- 374.99786 177.1
[M+CH3COO]- 389.01351 206.7
[M+Na-2H]- 350.97433 171.5
[M]+ 329.99911 174.6
[M]- 330.00021 174.6
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

patents stripe