CID 67782

Benzenearsonic acid, 3,4-difluoro-

Structural Information

Molecular Formula
C6H5AsF2O3
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)F)F
InChI
InChI=1S/C6H5AsF2O3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H,(H2,10,11,12)
InChIKey
LTHHINDWJOWMMT-UHFFFAOYSA-N
Compound name
(3,4-difluorophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

237.94228 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.94956 140.1
[M+Na]+ 260.93150 149.6
[M-H]- 236.93500 139.0
[M+NH4]+ 255.97610 158.7
[M+K]+ 276.90544 146.6
[M+H-H2O]+ 220.93954 133.5
[M+HCOO]- 282.94048 158.8
[M+CH3COO]- 296.95613 175.6
[M+Na-2H]- 258.91695 145.4
[M]+ 237.94173 137.1
[M]- 237.94283 137.1
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