CID 130119045

1806330-77-7

Structural Information

Molecular Formula
C9H7BrF2O2
SMILES
COC1=CC(=C(C=C1C(=O)CBr)F)F
InChI
InChI=1S/C9H7BrF2O2/c1-14-9-3-7(12)6(11)2-5(9)8(13)4-10/h2-3H,4H2,1H3
InChIKey
RLKKPTYQQZDWGP-UHFFFAOYSA-N
Compound name
2-bromo-1-(4,5-difluoro-2-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.95975 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.96703 152.1
[M+Na]+ 286.94897 154.5
[M+NH4]+ 281.99357 155.3
[M+K]+ 302.92291 154.4
[M-H]- 262.95247 149.8
[M+Na-2H]- 284.93442 153.5
[M]+ 263.95920 150.5
[M]- 263.96030 150.5
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.