CID 77492

3883-86-1

Structural Information

Molecular Formula
C12H2F8
SMILES
C1=C(C(=C(C(=C1F)F)C2=C(C(=CC(=C2F)F)F)F)F)F
InChI
InChI=1S/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
InChIKey
QWCHHUZAAGRHDB-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrafluoro-3-(2,3,5,6-tetrafluorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

115
Patents

298.00287 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01015 178.9
[M+Na]+ 320.99209 184.4
[M+NH4]+ 316.03669 180.3
[M+K]+ 336.96603 179.3
[M-H]- 296.99559 174.2
[M+Na-2H]- 318.97754 179.2
[M]+ 298.00232 178.1
[M]- 298.00342 178.1
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