CID 95452

[4-(2-hydroxypropoxy)phenyl]arsonic acid

Structural Information

Molecular Formula
C9H13AsO5
SMILES
CC(COC1=CC=C(C=C1)[As](=O)(O)O)O
InChI
InChI=1S/C9H13AsO5/c1-7(11)6-15-9-4-2-8(3-5-9)10(12,13)14/h2-5,7,11H,6H2,1H3,(H2,12,13,14)
InChIKey
FUXMIXDZSFCFJD-UHFFFAOYSA-N
Compound name
[4-(2-hydroxypropoxy)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9979 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00518 155.5
[M+Na]+ 298.98712 161.6
[M-H]- 274.99062 154.7
[M+NH4]+ 294.03172 171.3
[M+K]+ 314.96106 159.6
[M+H-H2O]+ 258.99516 149.7
[M+HCOO]- 320.99610 173.2
[M+CH3COO]- 335.01175 180.8
[M+Na-2H]- 296.97257 159.4
[M]+ 275.99735 155.9
[M]- 275.99845 155.9
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.