CID 138990959

2309445-85-8

Structural Information

Molecular Formula
C17H16FNO3
SMILES
C1C(CO1)(C2=CC=C(C=C2)NC(=O)OCC3=CC=CC=C3)F
InChI
InChI=1S/C17H16FNO3/c18-17(11-21-12-17)14-6-8-15(9-7-14)19-16(20)22-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)
InChIKey
IZNCCIOAJVKELV-UHFFFAOYSA-N
Compound name
benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11142 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11870 166.5
[M+Na]+ 324.10064 171.2
[M-H]- 300.10414 175.0
[M+NH4]+ 319.14524 174.9
[M+K]+ 340.07458 172.5
[M+H-H2O]+ 284.10868 152.1
[M+HCOO]- 346.10962 186.9
[M+CH3COO]- 360.12527 205.2
[M+Na-2H]- 322.08609 172.1
[M]+ 301.11087 174.6
[M]- 301.11197 174.6
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

No patent data available for this compound.