CID 165676819

2,6-dicyanobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H3ClN2O2S
SMILES
C1=CC(=C(C(=C1)C#N)S(=O)(=O)Cl)C#N
InChI
InChI=1S/C8H3ClN2O2S/c9-14(12,13)8-6(4-10)2-1-3-7(8)5-11/h1-3H
InChIKey
WUBMRJJYXPSQOP-UHFFFAOYSA-N
Compound name
2,6-dicyanobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.96037 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.96765 166.6
[M+Na]+ 248.94959 179.0
[M-H]- 224.95309 171.9
[M+NH4]+ 243.99419 180.0
[M+K]+ 264.92353 175.0
[M+H-H2O]+ 208.95763 153.1
[M+HCOO]- 270.95857 173.1
[M+CH3COO]- 284.97422 215.5
[M+Na-2H]- 246.93504 167.4
[M]+ 225.95982 161.8
[M]- 225.96092 161.8
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.