CID 134625571

1-[3-(bromomethyl)-4-fluorophenyl]-2,3-difluorobenzene

Structural Information

Molecular Formula
C13H8BrF3
SMILES
C1=CC(=C(C(=C1)F)F)C2=CC(=C(C=C2)F)CBr
InChI
InChI=1S/C13H8BrF3/c14-7-9-6-8(4-5-11(9)15)10-2-1-3-12(16)13(10)17/h1-6H,7H2
InChIKey
CUQMAUHTIFGPEP-UHFFFAOYSA-N
Compound name
1-[3-(bromomethyl)-4-fluorophenyl]-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.97614 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98342 158.1
[M+Na]+ 322.96536 171.7
[M-H]- 298.96886 164.3
[M+NH4]+ 318.00996 177.5
[M+K]+ 338.93930 158.5
[M+H-H2O]+ 282.97340 155.3
[M+HCOO]- 344.97434 177.1
[M+CH3COO]- 358.98999 201.0
[M+Na-2H]- 320.95081 162.6
[M]+ 299.97559 173.7
[M]- 299.97669 173.7
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.