CID 104523489

1566564-06-4

Structural Information

Molecular Formula
C11H12FNO2
SMILES
CC1(CC(=O)NC2=C(O1)C(=CC=C2)F)C
InChI
InChI=1S/C11H12FNO2/c1-11(2)6-9(14)13-8-5-3-4-7(12)10(8)15-11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKey
NPICEHMHPOHGML-UHFFFAOYSA-N
Compound name
9-fluoro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0852 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09248 140.1
[M+Na]+ 232.07442 150.5
[M+NH4]+ 227.11902 148.1
[M+K]+ 248.04836 144.9
[M-H]- 208.07792 141.1
[M+Na-2H]- 230.05987 145.5
[M]+ 209.08465 141.9
[M]- 209.08575 141.9
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.