CID 10810

Aldarsone

Structural Information

Molecular Formula
C7H10AsNO6S
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)NCS(=O)O)O
InChI
InChI=1S/C7H10AsNO6S/c10-7-2-1-5(8(11,12)13)3-6(7)9-4-16(14)15/h1-3,9-10H,4H2,(H,14,15)(H2,11,12,13)
InChIKey
MSEAHRGTAGLWGR-UHFFFAOYSA-N
Compound name
(5-arsono-2-hydroxyanilino)methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

310.9445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.95178 159.5
[M+Na]+ 333.93372 165.3
[M-H]- 309.93722 157.4
[M+NH4]+ 328.97832 173.1
[M+K]+ 349.90766 161.7
[M+H-H2O]+ 293.94176 153.4
[M+HCOO]- 355.94270 172.1
[M+CH3COO]- 369.95835 184.6
[M+Na-2H]- 331.91917 161.4
[M]+ 310.94395 159.5
[M]- 310.94505 159.5
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.