CID 52505

(4-chlorophenyl)methylarsinic acid

Structural Information

Molecular Formula
C7H8AsClO2
SMILES
C[As](=O)(C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C7H8AsClO2/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,10,11)
InChIKey
BPAWXYPNIBALJH-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-methylarsinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.94287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95015 142.0
[M+Na]+ 256.93209 151.5
[M-H]- 232.93559 144.5
[M+NH4]+ 251.97669 162.4
[M+K]+ 272.90603 147.4
[M+H-H2O]+ 216.94013 137.8
[M+HCOO]- 278.94107 159.4
[M+CH3COO]- 292.95672 176.3
[M+Na-2H]- 254.91754 148.7
[M]+ 233.94232 143.8
[M]- 233.94342 143.8
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

No patent data available for this compound.