CID 54758769

1067171-66-7

Structural Information

Molecular Formula
C8H8FNO
SMILES
C1COC2=C(N1)C(=CC=C2)F
InChI
InChI=1S/C8H8FNO/c9-6-2-1-3-7-8(6)10-4-5-11-7/h1-3,10H,4-5H2
InChIKey
GAQHKLQOTXHQIC-UHFFFAOYSA-N
Compound name
5-fluoro-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

153.05899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06627 127.2
[M+Na]+ 176.04821 135.2
[M-H]- 152.05171 128.1
[M+NH4]+ 171.09281 146.0
[M+K]+ 192.02215 133.1
[M+H-H2O]+ 136.05625 120.1
[M+HCOO]- 198.05719 144.6
[M+CH3COO]- 212.07284 140.0
[M+Na-2H]- 174.03366 136.3
[M]+ 153.05844 122.7
[M]- 153.05954 122.7
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