CID 22642

4-(p-arsenosophenyl)butyric acid

Structural Information

Molecular Formula
C10H11AsO3
SMILES
C1=CC(=CC=C1CCCC(=O)O)[As]=O
InChI
InChI=1S/C10H11AsO3/c12-10(13)3-1-2-8-4-6-9(11-14)7-5-8/h4-7H,1-3H2,(H,12,13)
InChIKey
JKYKCVBYQSRHCA-UHFFFAOYSA-N
Compound name
4-(4-arsorosophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99242 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.99970 151.7
[M+Na]+ 276.98164 158.5
[M-H]- 252.98514 153.5
[M+NH4]+ 272.02624 169.9
[M+K]+ 292.95558 155.8
[M+H-H2O]+ 236.98968 145.3
[M+HCOO]- 298.99062 173.5
[M+CH3COO]- 313.00627 183.1
[M+Na-2H]- 274.96709 155.3
[M]+ 253.99187 153.1
[M]- 253.99297 153.1
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.