CID 116504

64058-65-7

Structural Information

Molecular Formula
C8H12AsNO5
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)N)OCCO
InChI
InChI=1S/C8H12AsNO5/c10-7-5-6(9(12,13)14)1-2-8(7)15-4-3-11/h1-2,5,11H,3-4,10H2,(H2,12,13,14)
InChIKey
NDPWNLBKGLNLRA-UHFFFAOYSA-N
Compound name
[3-amino-4-(2-hydroxyethoxy)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.99313 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.00041 154.6
[M+Na]+ 299.98235 161.4
[M-H]- 275.98585 153.7
[M+NH4]+ 295.02695 170.1
[M+K]+ 315.95629 158.8
[M+H-H2O]+ 259.99039 148.6
[M+HCOO]- 321.99133 173.9
[M+CH3COO]- 336.00698 182.9
[M+Na-2H]- 297.96780 158.8
[M]+ 276.99258 153.8
[M]- 276.99368 153.8
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

No patent data available for this compound.