CID 53212900

2172500-14-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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 130.7
[M+Na]+ 190.06387 141.1
[M+NH4]+ 185.10847 138.5
[M+K]+ 206.03781 136.7
[M-H]- 166.06737 132.4
[M+Na-2H]- 188.04932 136.1
[M]+ 167.07410 132.6
[M]- 167.07520 132.6
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