CID 8312

4-(glycolloylamino)phenylarsonic acid

Structural Information

Molecular Formula
C8H10AsNO5
SMILES
C1=CC(=CC=C1NC(=O)CO)[As](=O)(O)O
InChI
InChI=1S/C8H10AsNO5/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15/h1-4,11H,5H2,(H,10,12)(H2,13,14,15)
InChIKey
QABXFDAPQQVMKL-UHFFFAOYSA-N
Compound name
[4-[(2-hydroxyacetyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1310
Patents

274.97748 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.984756 153.4
[M+Na]+ 297.966698 159.4
[M-H]- 273.970204 152.8
[M+NH4]+ 293.011303 168.9
[M+K]+ 313.940638 157.0
[M+H-H2O]+ 257.974740 147.4
[M+HCOO]- 319.975681 172.6
[M+CH3COO]- 333.991331 181.6
[M+Na-2H]- 295.952146 158.2
[M]+ 274.97693142 151.8
[M]- 274.97802858 151.8
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