CID 202120

Dibutylphosphinic acid m-fluorophenyl ester

Structural Information

Molecular Formula
C14H22FO2P
SMILES
CCCCP(=O)(CCCC)OC1=CC(=CC=C1)F
InChI
InChI=1S/C14H22FO2P/c1-3-5-10-18(16,11-6-4-2)17-14-9-7-8-13(15)12-14/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey
SWQLXNAHOYNAMO-UHFFFAOYSA-N
Compound name
1-dibutylphosphoryloxy-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.13416 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14144 167.4
[M+Na]+ 295.12338 173.8
[M-H]- 271.12688 167.9
[M+NH4]+ 290.16798 184.5
[M+K]+ 311.09732 170.9
[M+H-H2O]+ 255.13142 157.8
[M+HCOO]- 317.13236 193.3
[M+CH3COO]- 331.14801 200.9
[M+Na-2H]- 293.10883 168.3
[M]+ 272.13361 171.5
[M]- 272.13471 171.5
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