CID 233833

[4-(ethoxycarbonylamino)-2-hydroxyphenyl]arsonic acid

Structural Information

Molecular Formula
C9H12AsNO6
SMILES
CCOC(=O)NC1=CC(=C(C=C1)[As](=O)(O)O)O
InChI
InChI=1S/C9H12AsNO6/c1-2-17-9(13)11-6-3-4-7(8(12)5-6)10(14,15)16/h3-5,12H,2H2,1H3,(H,11,13)(H2,14,15,16)
InChIKey
XCUQXNMWEGBMGA-UHFFFAOYSA-N
Compound name
[4-(ethoxycarbonylamino)-2-hydroxyphenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

304.98807 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.99535 160.2
[M+Na]+ 327.97729 166.6
[M-H]- 303.98079 159.8
[M+NH4]+ 323.02189 174.8
[M+K]+ 343.95123 164.8
[M+H-H2O]+ 287.98533 154.0
[M+HCOO]- 349.98627 179.3
[M+CH3COO]- 364.00192 187.6
[M+Na-2H]- 325.96274 164.0
[M]+ 304.98752 160.8
[M]- 304.98862 160.8
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

No patent data available for this compound.