CID 73765

1544-19-0

Structural Information

Molecular Formula
C19H16F8O2
SMILES
CC(C)(C1=CC=C(C=C1)OC(C(F)F)(F)F)C2=CC=C(C=C2)OC(C(F)F)(F)F
InChI
InChI=1S/C19H16F8O2/c1-17(2,11-3-7-13(8-4-11)28-18(24,25)15(20)21)12-5-9-14(10-6-12)29-19(26,27)16(22)23/h3-10,15-16H,1-2H3
InChIKey
NILNWNGNABYYHH-UHFFFAOYSA-N
Compound name
1-(1,1,2,2-tetrafluoroethoxy)-4-[2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.10226 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.10954 192.5
[M+Na]+ 451.09148 199.8
[M-H]- 427.09498 188.7
[M+NH4]+ 446.13608 201.7
[M+K]+ 467.06542 195.0
[M+H-H2O]+ 411.09952 178.3
[M+HCOO]- 473.10046 199.9
[M+CH3COO]- 487.11611 228.1
[M+Na-2H]- 449.07693 191.8
[M]+ 428.10171 184.2
[M]- 428.10281 184.2
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.