CID 71757520

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

Structural Information

Molecular Formula
C8H7F2NO
SMILES
C1C(OC2=CC=CC=C2N1)(F)F
InChI
InChI=1S/C8H7F2NO/c9-8(10)5-11-6-3-1-2-4-7(6)12-8/h1-4,11H,5H2
InChIKey
JSHKEGBIEMCGIG-UHFFFAOYSA-N
Compound name
2,2-difluoro-3,4-dihydro-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.04958 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05686 134.2
[M+Na]+ 194.03880 145.9
[M+NH4]+ 189.08340 143.4
[M+K]+ 210.01274 138.0
[M-H]- 170.04230 134.7
[M+Na-2H]- 192.02425 140.4
[M]+ 171.04903 136.0
[M]- 171.05013 136.0
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