CID 95018

(4-fluorophenyl)arsonic acid

Structural Information

Molecular Formula
C6H6AsFO3
SMILES
C1=CC(=CC=C1F)[As](=O)(O)O
InChI
InChI=1S/C6H6AsFO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,(H2,9,10,11)
InChIKey
NYWDEDXRPCDCSI-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.95169 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.95897 138.1
[M+Na]+ 242.94091 146.6
[M-H]- 218.94441 137.9
[M+NH4]+ 237.98551 157.2
[M+K]+ 258.91485 144.0
[M+H-H2O]+ 202.94895 132.2
[M+HCOO]- 264.94989 157.9
[M+CH3COO]- 278.96554 171.6
[M+Na-2H]- 240.92636 144.6
[M]+ 219.95114 135.9
[M]- 219.95224 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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