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 137.4
[M+Na]+ 232.07442 145.5
[M-H]- 208.07792 140.4
[M+NH4]+ 227.11902 155.3
[M+K]+ 248.04836 147.0
[M+H-H2O]+ 192.08246 131.4
[M+HCOO]- 254.08340 153.8
[M+CH3COO]- 268.09905 186.0
[M+Na-2H]- 230.05987 144.4
[M]+ 209.08465 132.8
[M]- 209.08575 132.8
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.