CID 14177383

1-fluoroethyl phenyl carbonate

Structural Information

Molecular Formula
C9H9FO3
SMILES
CC(OC(=O)OC1=CC=CC=C1)F
InChI
InChI=1S/C9H9FO3/c1-7(10)12-9(11)13-8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
YZMJSEAMPXECSW-UHFFFAOYSA-N
Compound name
1-fluoroethyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

184.05357 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.060846 135.7
[M+Na]+ 207.042788 143.0
[M-H]- 183.046294 138.1
[M+NH4]+ 202.087393 155.4
[M+K]+ 223.016728 142.6
[M+H-H2O]+ 167.050830 128.9
[M+HCOO]- 229.051771 158.2
[M+CH3COO]- 243.067421 179.6
[M+Na-2H]- 205.028236 140.9
[M]+ 184.05302142 136.7
[M]- 184.05411858 136.7
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