CID 82606203

5-(4-fluorophenyl)-1,4-oxazepane

Structural Information

Molecular Formula
C11H14FNO
SMILES
C1COCCNC1C2=CC=C(C=C2)F
InChI
InChI=1S/C11H14FNO/c12-10-3-1-9(2-4-10)11-5-7-14-8-6-13-11/h1-4,11,13H,5-8H2
InChIKey
BNEKCPCBIZHQTE-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10594 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.113216 136.9
[M+Na]+ 218.095158 140.8
[M-H]- 194.098664 140.5
[M+NH4]+ 213.139763 151.5
[M+K]+ 234.069098 142.7
[M+H-H2O]+ 178.103200 129.4
[M+HCOO]- 240.104141 153.0
[M+CH3COO]- 254.119791 147.8
[M+Na-2H]- 216.080606 142.5
[M]+ 195.10539142 127.9
[M]- 195.10648858 127.9
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.