CID 39769

Benzoic acid, 2-arsenoso-

Structural Information

Molecular Formula
C7H5AsO3
SMILES
C1=CC=C(C(=C1)C(=O)O)[As]=O
InChI
InChI=1S/C7H5AsO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4H,(H,9,10)
InChIKey
XYXJKERASGHYHC-UHFFFAOYSA-N
Compound name
2-arsorosobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.94547 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.95275 137.6
[M+Na]+ 234.93469 145.7
[M-H]- 210.93819 140.0
[M+NH4]+ 229.97929 157.5
[M+K]+ 250.90863 143.7
[M+H-H2O]+ 194.94273 131.8
[M+HCOO]- 256.94367 160.5
[M+CH3COO]- 270.95932 174.1
[M+Na-2H]- 232.92014 142.8
[M]+ 211.94492 138.0
[M]- 211.94602 138.0
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.