CID 16244459

105655-00-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

153.05899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.066266 127.2
[M+Na]+ 176.048208 135.2
[M-H]- 152.051714 128.1
[M+NH4]+ 171.092813 146.0
[M+K]+ 192.022148 133.1
[M+H-H2O]+ 136.056250 120.1
[M+HCOO]- 198.057191 144.6
[M+CH3COO]- 212.072841 140.0
[M+Na-2H]- 174.033656 136.3
[M]+ 153.05844142 122.7
[M]- 153.05953858 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