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]+ 196.11322 136.9
[M+Na]+ 218.09516 140.8
[M-H]- 194.09866 140.5
[M+NH4]+ 213.13976 151.5
[M+K]+ 234.06910 142.7
[M+H-H2O]+ 178.10320 129.4
[M+HCOO]- 240.10414 153.0
[M+CH3COO]- 254.11979 147.8
[M+Na-2H]- 216.08061 142.5
[M]+ 195.10539 127.9
[M]- 195.10649 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.