CID 96094

Bis(4-fluorophenyl)methane

Structural Information

Molecular Formula
C13H10F2
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)F)F
InChI
InChI=1S/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2
InChIKey
DXQVFHQUHOFROC-UHFFFAOYSA-N
Compound name
1-fluoro-4-[(4-fluorophenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

715
Patents

204.07506 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08234 140.0
[M+Na]+ 227.06428 149.2
[M-H]- 203.06778 144.5
[M+NH4]+ 222.10888 159.2
[M+K]+ 243.03822 144.6
[M+H-H2O]+ 187.07232 131.5
[M+HCOO]- 249.07326 162.7
[M+CH3COO]- 263.08891 186.8
[M+Na-2H]- 225.04973 146.1
[M]+ 204.07451 137.3
[M]- 204.07561 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe