CID 165606901

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

Structural Information

Molecular Formula
C8H6BrF2NO
SMILES
C1C(OC2=C(N1)C=CC=C2Br)(F)F
InChI
InChI=1S/C8H6BrF2NO/c9-5-2-1-3-6-7(5)13-8(10,11)4-12-6/h1-3,12H,4H2
InChIKey
AABUEZPVXCONQN-UHFFFAOYSA-N
Compound name
8-bromo-2,2-difluoro-3,4-dihydro-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.96008 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.96736 149.6
[M+Na]+ 271.94930 152.3
[M+NH4]+ 266.99390 154.9
[M+K]+ 287.92324 150.4
[M-H]- 247.95280 148.7
[M+Na-2H]- 269.93475 151.9
[M]+ 248.95953 148.6
[M]- 248.96063 148.6
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

No patent data available for this compound.