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

57
Patents

167.07465 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08193 126.4
[M+Na]+ 190.06387 132.4
[M-H]- 166.06737 128.6
[M+NH4]+ 185.10847 143.6
[M+K]+ 206.03781 134.3
[M+H-H2O]+ 150.07191 120.3
[M+HCOO]- 212.07285 143.2
[M+CH3COO]- 226.08850 138.6
[M+Na-2H]- 188.04932 134.9
[M]+ 167.07410 119.5
[M]- 167.07520 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