CID 223806

2-amino-4-arsonobenzoic acid

Structural Information

Molecular Formula
C7H8AsNO5
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)N)C(=O)O
InChI
InChI=1S/C7H8AsNO5/c9-6-3-4(8(12,13)14)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)(H2,12,13,14)
InChIKey
FONAQXOHXLIQHK-UHFFFAOYSA-N
Compound name
2-amino-4-arsonobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.96185 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.96913 148.9
[M+Na]+ 283.95107 156.2
[M-H]- 259.95457 148.3
[M+NH4]+ 278.99567 164.9
[M+K]+ 299.92501 153.8
[M+H-H2O]+ 243.95911 143.3
[M+HCOO]- 305.96005 167.7
[M+CH3COO]- 319.97570 180.0
[M+Na-2H]- 281.93652 152.4
[M]+ 260.96130 146.4
[M]- 260.96240 146.4
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.