CID 23129

2-biphenylarsonic acid

Structural Information

Molecular Formula
C12H11AsO3
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2[As](=O)(O)O
InChI
InChI=1S/C12H11AsO3/c14-13(15,16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H2,14,15,16)
InChIKey
MDAARUQQEFYVIM-UHFFFAOYSA-N
Compound name
(2-phenylphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9924 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99968 156.3
[M+Na]+ 300.98162 163.5
[M-H]- 276.98512 160.3
[M+NH4]+ 296.02622 172.6
[M+K]+ 316.95556 159.4
[M+H-H2O]+ 260.98966 149.5
[M+HCOO]- 322.99060 176.6
[M+CH3COO]- 337.00625 183.0
[M+Na-2H]- 298.96707 162.9
[M]+ 277.99185 154.8
[M]- 277.99295 154.8
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.