CID 2778247

2-iodobenzenesulfonic acid

Structural Information

Molecular Formula
C6H5IO3S
SMILES
C1=CC=C(C(=C1)S(=O)(=O)O)I
InChI
InChI=1S/C6H5IO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H,8,9,10)
InChIKey
ZJTNYBYLBTVLRD-UHFFFAOYSA-N
Compound name
2-iodobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

257
Patents

283.90042 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.90770 144.6
[M+Na]+ 306.88964 147.0
[M-H]- 282.89314 140.8
[M+NH4]+ 301.93424 159.7
[M+K]+ 322.86358 150.1
[M+H-H2O]+ 266.89768 136.0
[M+HCOO]- 328.89862 157.6
[M+CH3COO]- 342.91427 181.3
[M+Na-2H]- 304.87509 137.7
[M]+ 283.89987 143.7
[M]- 283.90097 143.7
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

patents stripe