CID 96739

2,2-bis(4-fluorophenyl)tetrahydrofuran

Structural Information

Molecular Formula
C16H14F2O
SMILES
C1CC(OC1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H14F2O/c17-14-6-2-12(3-7-14)16(10-1-11-19-16)13-4-8-15(18)9-5-13/h2-9H,1,10-11H2
InChIKey
YWMMTVPVYNHPTG-UHFFFAOYSA-N
Compound name
2,2-bis(4-fluorophenyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10126 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.108536 156.1
[M+Na]+ 283.090478 164.4
[M-H]- 259.093984 164.2
[M+NH4]+ 278.135083 175.0
[M+K]+ 299.064418 160.7
[M+H-H2O]+ 243.098520 147.3
[M+HCOO]- 305.099461 176.5
[M+CH3COO]- 319.115111 168.7
[M+Na-2H]- 281.075926 159.9
[M]+ 260.10071142 152.3
[M]- 260.10180858 152.3
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

No patent data available for this compound.