CID 94933

(2-chlorophenyl)arsonic acid

Structural Information

Molecular Formula
C6H6AsClO3
SMILES
C1=CC=C(C(=C1)Cl)[As](=O)(O)O
InChI
InChI=1S/C6H6AsClO3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H,(H2,9,10,11)
InChIKey
GUGCAIIPJMERPL-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

235.92213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.92941 140.8
[M+Na]+ 258.91135 150.1
[M-H]- 234.91485 142.0
[M+NH4]+ 253.95595 160.2
[M+K]+ 274.88529 146.0
[M+H-H2O]+ 218.91939 136.8
[M+HCOO]- 280.92033 157.2
[M+CH3COO]- 294.93598 172.8
[M+Na-2H]- 256.89680 147.6
[M]+ 235.92158 141.8
[M]- 235.92268 141.8
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