CID 223336

Sodium p-arsonobenzenesulphonate

Structural Information

Molecular Formula
C6H7AsO6S
SMILES
C1=CC(=CC=C1S(=O)(=O)O)[As](=O)(O)O
InChI
InChI=1S/C6H7AsO6S/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,(H2,8,9,10)(H,11,12,13)
InChIKey
FDADNEVPFQUWEW-UHFFFAOYSA-N
Compound name
4-arsonobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.91794 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.92522 152.4
[M+Na]+ 304.90716 160.9
[M+NH4]+ 299.95176 157.0
[M+K]+ 320.88110 157.3
[M-H]- 280.91066 149.1
[M+Na-2H]- 302.89261 154.7
[M]+ 281.91739 152.7
[M]- 281.91849 152.7
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

No patent data available for this compound.