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]+ 172.056856 130.5
[M+Na]+ 194.038798 139.5
[M-H]- 170.042304 130.4
[M+NH4]+ 189.083403 150.6
[M+K]+ 210.012738 137.2
[M+H-H2O]+ 154.046840 122.8
[M+HCOO]- 216.047781 146.8
[M+CH3COO]- 230.063431 143.1
[M+Na-2H]- 192.024246 139.9
[M]+ 171.04903142 125.1
[M]- 171.05012858 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