CID 129960909

874514-40-6

Structural Information

Molecular Formula
C7H6ClIO2S
SMILES
CC1=CC(=C(C=C1)S(=O)(=O)Cl)I
InChI
InChI=1S/C7H6ClIO2S/c1-5-2-3-7(6(9)4-5)12(8,10)11/h2-4H,1H3
InChIKey
VEYFOQOZMRRLPB-UHFFFAOYSA-N
Compound name
2-iodo-4-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.88217 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.88945 145.4
[M+Na]+ 338.87139 149.5
[M-H]- 314.87489 143.2
[M+NH4]+ 333.91599 161.2
[M+K]+ 354.84533 151.2
[M+H-H2O]+ 298.87943 137.8
[M+HCOO]- 360.88037 155.2
[M+CH3COO]- 374.89602 189.3
[M+Na-2H]- 336.85684 137.9
[M]+ 315.88162 147.5
[M]- 315.88272 147.5
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.