CID 155973272

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

Structural Information

Molecular Formula
C8H6BrF2NO
SMILES
C1C(OC2=C(N1)C=C(C=C2)Br)(F)F
InChI
InChI=1S/C8H6BrF2NO/c9-5-1-2-7-6(3-5)12-4-8(10,11)13-7/h1-3,12H,4H2
InChIKey
CWUHKORGPWFGGB-UHFFFAOYSA-N
Compound name
6-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 143.6
[M+Na]+ 271.94930 156.2
[M-H]- 247.95280 146.6
[M+NH4]+ 266.99390 164.4
[M+K]+ 287.92324 145.4
[M+H-H2O]+ 231.95734 142.7
[M+HCOO]- 293.95828 157.9
[M+CH3COO]- 307.97393 157.6
[M+Na-2H]- 269.93475 152.8
[M]+ 248.95953 157.7
[M]- 248.96063 157.7
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

No patent data available for this compound.