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 140.9
[M+Na]+ 253.95872 152.6
[M-H]- 229.96222 144.8
[M+NH4]+ 249.00332 160.5
[M+K]+ 269.93266 142.0
[M+H-H2O]+ 213.96676 140.3
[M+HCOO]- 275.96770 156.1
[M+CH3COO]- 289.98335 155.0
[M+Na-2H]- 251.94417 149.8
[M]+ 230.96895 155.7
[M]- 230.97005 155.7
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