CID 19609006

7671-49-0

Structural Information

Molecular Formula
C4H9IO3S
SMILES
C(CCI)CS(=O)(=O)O
InChI
InChI=1S/C4H9IO3S/c5-3-1-2-4-9(6,7)8/h1-4H2,(H,6,7,8)
InChIKey
NSZCLALXKDTAPE-UHFFFAOYSA-N
Compound name
4-iodobutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

263.9317 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.93898 144.5
[M+Na]+ 286.92092 145.4
[M-H]- 262.92442 137.2
[M+NH4]+ 281.96552 160.2
[M+K]+ 302.89486 149.5
[M+H-H2O]+ 246.92896 136.5
[M+HCOO]- 308.92990 156.3
[M+CH3COO]- 322.94555 178.9
[M+Na-2H]- 284.90637 136.0
[M]+ 263.93115 144.8
[M]- 263.93225 144.8
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

patents stripe