CID 138040491

1451215-66-9

Structural Information

Molecular Formula
C8H4BrF2NO2
SMILES
C1=CC2=C(C=C1Br)OC(C(=O)N2)(F)F
InChI
InChI=1S/C8H4BrF2NO2/c9-4-1-2-5-6(3-4)14-8(10,11)7(13)12-5/h1-3H,(H,12,13)
InChIKey
HOWMDELYIRGKJL-UHFFFAOYSA-N
Compound name
7-bromo-2,2-difluoro-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.93936 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.94664 144.3
[M+Na]+ 285.92858 157.9
[M-H]- 261.93208 147.6
[M+NH4]+ 280.97318 164.7
[M+K]+ 301.90252 147.1
[M+H-H2O]+ 245.93662 143.4
[M+HCOO]- 307.93756 158.9
[M+CH3COO]- 321.95321 188.3
[M+Na-2H]- 283.91403 153.0
[M]+ 262.93881 159.5
[M]- 262.93991 159.5
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.