CID 18467399

(2-iodophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H6ClIO2S
SMILES
C1=CC=C(C(=C1)CS(=O)(=O)Cl)I
InChI
InChI=1S/C7H6ClIO2S/c8-12(10,11)5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKey
SDTOHWVCOCYSBZ-UHFFFAOYSA-N
Compound name
(2-iodophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

315.88217 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.88945 147.0
[M+Na]+ 338.87139 150.2
[M-H]- 314.87489 144.4
[M+NH4]+ 333.91599 162.5
[M+K]+ 354.84533 151.8
[M+H-H2O]+ 298.87943 139.1
[M+HCOO]- 360.88037 156.7
[M+CH3COO]- 374.89602 188.3
[M+Na-2H]- 336.85684 139.9
[M]+ 315.88162 148.7
[M]- 315.88272 148.7
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