CID 82080

Pyridinium, sulfonyldiethylenedi-, dichloride

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
C1=CC=[N+](C=C1)CCS(=O)(=O)CC[N+]2=CC=CC=C2
InChI
InChI=1S/C14H18N2O2S/c17-19(18,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2/q+2
InChIKey
DMMZVAGUICMOTC-UHFFFAOYSA-N
Compound name
1-[2-(2-pyridin-1-ium-1-ylethylsulfonyl)ethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.1089 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 164.4
[M+Na]+ 301.09812 171.5
[M-H]- 277.10162 168.8
[M+NH4]+ 296.14272 177.1
[M+K]+ 317.07206 155.9
[M+H-H2O]+ 261.10616 161.0
[M+HCOO]- 323.10710 179.5
[M+CH3COO]- 337.12275 181.5
[M+Na-2H]- 299.08357 174.7
[M]+ 278.10835 164.2
[M]- 278.10945 164.2
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