CID 84776

Benzenearsonic acid, 2,5-dichloro-

Structural Information

Molecular Formula
C6H5AsCl2O3
SMILES
C1=CC(=C(C=C1Cl)[As](=O)(O)O)Cl
InChI
InChI=1S/C6H5AsCl2O3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H,(H2,10,11,12)
InChIKey
GQXPKFSKSNZFDX-UHFFFAOYSA-N
Compound name
(2,5-dichlorophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.88318 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.89046 145.3
[M+Na]+ 292.87240 155.8
[M-H]- 268.87590 146.3
[M+NH4]+ 287.91700 164.0
[M+K]+ 308.84634 150.3
[M+H-H2O]+ 252.88044 142.3
[M+HCOO]- 314.88138 156.6
[M+CH3COO]- 328.89703 178.9
[M+Na-2H]- 290.85785 150.7
[M]+ 269.88263 147.7
[M]- 269.88373 147.7
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