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 160.3
[M-H]- 280.91066 152.1
[M+NH4]+ 299.95176 168.3
[M+K]+ 320.88110 157.1
[M+H-H2O]+ 264.91520 147.3
[M+HCOO]- 326.91614 165.8
[M+CH3COO]- 340.93179 175.9
[M+Na-2H]- 302.89261 157.4
[M]+ 281.91739 153.9
[M]- 281.91849 153.9
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.