CID 13060048

7,8-difluoro-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C8H7F2NO
SMILES
C1COC2=C(N1)C=CC(=C2F)F
InChI
InChI=1S/C8H7F2NO/c9-5-1-2-6-8(7(5)10)12-4-3-11-6/h1-2,11H,3-4H2
InChIKey
PZPVTXOFDWKYDD-UHFFFAOYSA-N
Compound name
7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 134.4
[M+Na]+ 194.03880 146.3
[M+NH4]+ 189.08340 142.2
[M+K]+ 210.01274 140.2
[M-H]- 170.04230 134.9
[M+Na-2H]- 192.02425 138.9
[M]+ 171.04903 136.1
[M]- 171.05013 136.1
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