CID 7389

Arsanilic acid

Structural Information

Molecular Formula
C6H8AsNO3
SMILES
C1=CC(=CC=C1N)[As](=O)(O)O
InChI
InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
InChIKey
XKNKHVGWJDPIRJ-UHFFFAOYSA-N
Compound name
(4-aminophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

253
References

2067
Patents

216.97202 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.97930 140.0
[M+Na]+ 239.96124 147.6
[M-H]- 215.96474 140.6
[M+NH4]+ 235.00584 158.6
[M+K]+ 255.93518 145.0
[M+H-H2O]+ 199.96928 134.6
[M+HCOO]- 261.97022 161.2
[M+CH3COO]- 275.98587 173.3
[M+Na-2H]- 237.94669 146.3
[M]+ 216.97147 137.1
[M]- 216.97257 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe