CID 2778267

405921-09-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

263.95975 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.967026 147.8
[M+Na]+ 286.948968 158.9
[M-H]- 262.952474 151.6
[M+NH4]+ 281.993573 167.9
[M+K]+ 302.922908 148.3
[M+H-H2O]+ 246.957010 146.1
[M+HCOO]- 308.957951 166.4
[M+CH3COO]- 322.973601 192.6
[M+Na-2H]- 284.934416 152.4
[M]+ 263.95920142 165.2
[M]- 263.96029858 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