CID 54595772

4-[bromo(phenyl)methyl]-1,2-difluorobenzene

Structural Information

Molecular Formula
C13H9BrF2
SMILES
C1=CC=C(C=C1)C(C2=CC(=C(C=C2)F)F)Br
InChI
InChI=1S/C13H9BrF2/c14-13(9-4-2-1-3-5-9)10-6-7-11(15)12(16)8-10/h1-8,13H
InChIKey
PKLJGOAIDLCXEP-UHFFFAOYSA-N
Compound name
4-[bromo(phenyl)methyl]-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.98557 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99285 155.2
[M+Na]+ 304.97479 166.8
[M-H]- 280.97829 162.1
[M+NH4]+ 300.01939 174.8
[M+K]+ 320.94873 154.5
[M+H-H2O]+ 264.98283 153.2
[M+HCOO]- 326.98377 174.4
[M+CH3COO]- 340.99942 197.1
[M+Na-2H]- 302.96024 160.6
[M]+ 281.98502 170.7
[M]- 281.98612 170.7
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.