CID 16244465

6,8-difluoro-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C8H7F2NO
SMILES
C1COC2=C(N1)C=C(C=C2F)F
InChI
InChI=1S/C8H7F2NO/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h3-4,11H,1-2H2
InChIKey
GGUQWCUSJRIBEV-UHFFFAOYSA-N
Compound name
6,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

171.04958 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05686 130.4
[M+Na]+ 194.03880 139.3
[M-H]- 170.04230 130.3
[M+NH4]+ 189.08340 148.7
[M+K]+ 210.01274 136.8
[M+H-H2O]+ 154.04684 122.5
[M+HCOO]- 216.04778 146.7
[M+CH3COO]- 230.06343 142.9
[M+Na-2H]- 192.02425 138.1
[M]+ 171.04903 125.1
[M]- 171.05013 125.1
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