CID 240550

Stibacetin

Structural Information

Molecular Formula
C8H10NO4Sb
SMILES
CC(=O)NC1=CC=C(C=C1)[Sb](=O)(O)O
InChI
InChI=1S/C8H8NO.2H2O.O.Sb/c1-7(10)9-8-5-3-2-4-6-8;;;;/h3-6H,1H3,(H,9,10);2*1H2;;/q;;;;+2/p-2
InChIKey
VCRSJHLUNDQHNW-UHFFFAOYSA-L
Compound name
(4-acetamidophenyl)stibonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

304.96478 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.97206 156.5
[M+Na]+ 327.95400 165.4
[M+NH4]+ 322.99860 161.8
[M+K]+ 343.92794 161.8
[M-H]- 303.95750 155.4
[M+Na-2H]- 325.93945 159.7
[M]+ 304.96423 157.0
[M]- 304.96533 157.0
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.