CID 459212

[4-(ethoxycarbonylamino)phenyl]arsonic acid

Structural Information

Molecular Formula
C9H12AsNO5
SMILES
CCOC(=O)NC1=CC=C(C=C1)[As](=O)(O)O
InChI
InChI=1S/C9H12AsNO5/c1-2-16-9(12)11-8-5-3-7(4-6-8)10(13,14)15/h3-6H,2H2,1H3,(H,11,12)(H2,13,14,15)
InChIKey
YLZOFDDHZNZXFV-UHFFFAOYSA-N
Compound name
[4-(ethoxycarbonylamino)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.99313 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00041 157.8
[M+Na]+ 311.98235 163.9
[M-H]- 287.98585 158.5
[M+NH4]+ 307.02695 173.5
[M+K]+ 327.95629 162.2
[M+H-H2O]+ 271.99039 151.4
[M+HCOO]- 333.99133 178.2
[M+CH3COO]- 348.00698 186.2
[M+Na-2H]- 309.96780 162.6
[M]+ 288.99258 158.4
[M]- 288.99368 158.4
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.