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 130.5
[M+Na]+ 194.03880 139.5
[M-H]- 170.04230 130.4
[M+NH4]+ 189.08340 150.6
[M+K]+ 210.01274 137.2
[M+H-H2O]+ 154.04684 122.8
[M+HCOO]- 216.04778 146.8
[M+CH3COO]- 230.06343 143.1
[M+Na-2H]- 192.02425 139.9
[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