CID 116739925

7-bromo-6-fluoro-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C8H7BrFNO
SMILES
C1COC2=CC(=C(C=C2N1)F)Br
InChI
InChI=1S/C8H7BrFNO/c9-5-3-8-7(4-6(5)10)11-1-2-12-8/h3-4,11H,1-2H2
InChIKey
HSTYCKSGBYAAAQ-UHFFFAOYSA-N
Compound name
7-bromo-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.9695 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97678 142.2
[M+Na]+ 253.95872 145.8
[M+NH4]+ 249.00332 147.2
[M+K]+ 269.93266 145.5
[M-H]- 229.96222 142.8
[M+Na-2H]- 251.94417 144.3
[M]+ 230.96895 141.7
[M]- 230.97005 141.7
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