CID 67200593

844648-13-1

Structural Information

Molecular Formula
C9H10FNO
SMILES
C1COC2=C(CN1)C=CC(=C2)F
InChI
InChI=1S/C9H10FNO/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11H,3-4,6H2
InChIKey
MCVXZLUQBPRIOC-UHFFFAOYSA-N
Compound name
8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

167.07465 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.081926 126.4
[M+Na]+ 190.063868 132.4
[M-H]- 166.067374 128.6
[M+NH4]+ 185.108473 143.6
[M+K]+ 206.037808 134.3
[M+H-H2O]+ 150.071910 120.3
[M+HCOO]- 212.072851 143.2
[M+CH3COO]- 226.088501 138.6
[M+Na-2H]- 188.049316 134.9
[M]+ 167.07410142 119.5
[M]- 167.07519858 119.5
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

patents stripe