CID 7373

4-hydroxyphenylarsonic acid

Structural Information

Molecular Formula
C6H7AsO4
SMILES
C1=CC(=CC=C1O)[As](=O)(O)O
InChI
InChI=1S/C6H7AsO4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4,8H,(H2,9,10,11)
InChIKey
RSRFURJMCNJVOW-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

94
Patents

217.95602 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96330 137.3
[M+Na]+ 240.94524 148.0
[M+NH4]+ 235.98984 143.7
[M+K]+ 256.91918 144.3
[M-H]- 216.94874 136.2
[M+Na-2H]- 238.93069 141.8
[M]+ 217.95547 138.2
[M]- 217.95657 138.2
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

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