CID 80448

P-ethoxybenzenearsonic acid

Structural Information

Molecular Formula
C8H11AsO4
SMILES
CCOC1=CC=C(C=C1)[As](=O)(O)O
InChI
InChI=1S/C8H11AsO4/c1-2-13-8-5-3-7(4-6-8)9(10,11)12/h3-6H,2H2,1H3,(H2,10,11,12)
InChIKey
VTLDLMRYPIFVJC-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.98734 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99462 147.7
[M+Na]+ 268.97656 155.2
[M-H]- 244.98006 148.6
[M+NH4]+ 264.02116 165.7
[M+K]+ 284.95050 153.2
[M+H-H2O]+ 228.98460 142.1
[M+HCOO]- 290.98554 168.1
[M+CH3COO]- 305.00119 177.1
[M+Na-2H]- 266.96201 153.8
[M]+ 245.98679 148.8
[M]- 245.98789 148.8
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