CID 3023023

Benzyl fluoroformate

Structural Information

Molecular Formula
C8H7FO2
SMILES
C1=CC=C(C=C1)COC(=O)F
InChI
InChI=1S/C8H7FO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
ZDRODIGYILKBLQ-UHFFFAOYSA-N
Compound name
benzyl carbonofluoridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

154.04301 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.050286 127.4
[M+Na]+ 177.032228 135.4
[M-H]- 153.035734 129.9
[M+NH4]+ 172.076833 148.4
[M+K]+ 193.006168 134.3
[M+H-H2O]+ 137.040270 121.0
[M+HCOO]- 199.041211 151.0
[M+CH3COO]- 213.056861 174.3
[M+Na-2H]- 175.017676 134.4
[M]+ 154.04246142 127.3
[M]- 154.04355858 127.3
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

patents stripe