CID 2778266

2-bromo-1-(3-(difluoromethoxy)phenyl)ethanone

Structural Information

Molecular Formula
C9H7BrF2O2
SMILES
C1=CC(=CC(=C1)OC(F)F)C(=O)CBr
InChI
InChI=1S/C9H7BrF2O2/c10-5-8(13)6-2-1-3-7(4-6)14-9(11)12/h1-4,9H,5H2
InChIKey
WPBYWRSJRLRFJH-UHFFFAOYSA-N
Compound name
2-bromo-1-[3-(difluoromethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

263.95975 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.96703 147.8
[M+Na]+ 286.94897 158.9
[M-H]- 262.95247 151.6
[M+NH4]+ 281.99357 167.9
[M+K]+ 302.92291 148.3
[M+H-H2O]+ 246.95701 146.1
[M+HCOO]- 308.95795 166.4
[M+CH3COO]- 322.97360 192.6
[M+Na-2H]- 284.93442 152.4
[M]+ 263.95920 165.2
[M]- 263.96030 165.2
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