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]+ 264.967026 146.8
[M+Na]+ 286.948968 158.8
[M-H]- 262.952474 151.0
[M+NH4]+ 281.993573 167.2
[M+K]+ 302.922908 148.2
[M+H-H2O]+ 246.957010 145.3
[M+HCOO]- 308.957951 165.4
[M+CH3COO]- 322.973601 193.7
[M+Na-2H]- 284.934416 150.8
[M]+ 263.95920142 164.5
[M]- 263.96029858 164.5
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.