CID 224897

4-arsonobenzoic acid

Structural Information

Molecular Formula
C7H7AsO5
SMILES
C1=CC(=CC=C1C(=O)O)[As](=O)(O)O
InChI
InChI=1S/C7H7AsO5/c9-7(10)5-1-3-6(4-2-5)8(11,12)13/h1-4H,(H,9,10)(H2,11,12,13)
InChIKey
ZYNMYJFCAHXBDB-UHFFFAOYSA-N
Compound name
4-arsonobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.95094 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95822 144.9
[M+Na]+ 268.94016 152.2
[M-H]- 244.94366 144.6
[M+NH4]+ 263.98476 161.9
[M+K]+ 284.91410 150.1
[M+H-H2O]+ 228.94820 139.6
[M+HCOO]- 290.94914 163.5
[M+CH3COO]- 304.96479 173.9
[M+Na-2H]- 266.92561 149.9
[M]+ 245.95039 143.9
[M]- 245.95149 143.9
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

patents stripe