CID 21703

P-chlorophenyl vinyl sulfone

Structural Information

Molecular Formula
C8H7ClO2S
SMILES
C=CS(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H7ClO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h2-6H,1H2
InChIKey
IBJGVAOFRSKZPY-UHFFFAOYSA-N
Compound name
1-chloro-4-ethenylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

201.98553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.99281 136.4
[M+Na]+ 224.97475 147.1
[M-H]- 200.97825 141.1
[M+NH4]+ 220.01935 157.2
[M+K]+ 240.94869 142.2
[M+H-H2O]+ 184.98279 132.5
[M+HCOO]- 246.98373 150.9
[M+CH3COO]- 260.99938 178.9
[M+Na-2H]- 222.96020 141.3
[M]+ 201.98498 140.6
[M]- 201.98608 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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