CID 6918615

Fluorofelbamate

Structural Information

Molecular Formula

C₁₁H₁₃FN₂O₄

SMILES

C1=CC=C(C=C1)C(COC(=O)N)(COC(=O)N)F

InChI

InChI=1S/C11H13FN2O4/c12-11(6-17-9(13)15,7-18-10(14)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,15)(H2,14,16)

InChIKey

ZCDHNOUTBZTCLP-UHFFFAOYSA-N

Compound name

(3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 139
Patents: 256.08594 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.09322	154.4
[M+Na]+	279.07516	159.5
[M-H]-	255.07866	155.4
[M+NH4]+	274.11976	169.6
[M+K]+	295.04910	158.4
[M+H-H2O]+	239.08320	146.6
[M+HCOO]-	301.08414	175.7
[M+CH3COO]-	315.09979	196.1
[M+Na-2H]-	277.06061	157.9
[M]+	256.08539	152.6
[M]-	256.08649	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe