CID 137951957

3-bromo-2,2-difluoro-1-(2-methylphenyl)propan-1-one

Structural Information

Molecular Formula
C10H9BrF2O
SMILES
CC1=CC=CC=C1C(=O)C(CBr)(F)F
InChI
InChI=1S/C10H9BrF2O/c1-7-4-2-3-5-8(7)9(14)10(12,13)6-11/h2-5H,6H2,1H3
InChIKey
JWXBNSUGOMYMEJ-UHFFFAOYSA-N
Compound name
3-bromo-2,2-difluoro-1-(2-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.98047 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.98775 149.8
[M+Na]+ 284.96969 161.4
[M-H]- 260.97319 153.7
[M+NH4]+ 280.01429 170.3
[M+K]+ 300.94363 150.0
[M+H-H2O]+ 244.97773 148.7
[M+HCOO]- 306.97867 167.4
[M+CH3COO]- 320.99432 193.1
[M+Na-2H]- 282.95514 155.7
[M]+ 261.97992 166.3
[M]- 261.98102 166.3
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.