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
3
Annotation Hits

0
References

1354
Patents

274.97748 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98476 153.4
[M+Na]+ 297.96670 159.4
[M-H]- 273.97020 152.8
[M+NH4]+ 293.01130 168.9
[M+K]+ 313.94064 157.0
[M+H-H2O]+ 257.97474 147.4
[M+HCOO]- 319.97568 172.6
[M+CH3COO]- 333.99133 181.6
[M+Na-2H]- 295.95215 158.2
[M]+ 274.97693 151.8
[M]- 274.97803 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