CID 116739925

105679-34-3

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

7
Patents

230.9695 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.976776 140.9
[M+Na]+ 253.958718 152.6
[M-H]- 229.962224 144.8
[M+NH4]+ 249.003323 160.5
[M+K]+ 269.932658 142.0
[M+H-H2O]+ 213.966760 140.3
[M+HCOO]- 275.967701 156.1
[M+CH3COO]- 289.983351 155.0
[M+Na-2H]- 251.944166 149.8
[M]+ 230.96895142 155.7
[M]- 230.97004858 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