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

26
Patents

184.05357 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 135.7
[M+Na]+ 207.04279 143.0
[M-H]- 183.04629 138.1
[M+NH4]+ 202.08739 155.4
[M+K]+ 223.01673 142.6
[M+H-H2O]+ 167.05083 128.9
[M+HCOO]- 229.05177 158.2
[M+CH3COO]- 243.06742 179.6
[M+Na-2H]- 205.02824 140.9
[M]+ 184.05302 136.7
[M]- 184.05412 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