CID 60649072

1-[5-bromo-2-(difluoromethoxy)phenyl]ethan-1-one

Structural Information

Molecular Formula
C9H7BrF2O2
SMILES
CC(=O)C1=C(C=CC(=C1)Br)OC(F)F
InChI
InChI=1S/C9H7BrF2O2/c1-5(13)7-4-6(10)2-3-8(7)14-9(11)12/h2-4,9H,1H3
InChIKey
SLMZBPBIGSVKEU-UHFFFAOYSA-N
Compound name
1-[5-bromo-2-(difluoromethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.95975 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.96703 150.9
[M+Na]+ 286.94897 152.7
[M+NH4]+ 281.99357 154.0
[M+K]+ 302.92291 153.2
[M-H]- 262.95247 148.3
[M+Na-2H]- 284.93442 152.3
[M]+ 263.95920 149.1
[M]- 263.96030 149.1
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.