CID 118687153

Dfvo3hidfb

Structural Information

Molecular Formula
C26H22F4O
SMILES
CCCC1CC2=C(C1)C=C(C=C2)C3=CC=C(C=C3)C4=CC(=C(C(=C4)F)OC=C(F)F)F
InChI
InChI=1S/C26H22F4O/c1-2-3-16-10-19-8-9-20(12-21(19)11-16)17-4-6-18(7-5-17)22-13-23(27)26(24(28)14-22)31-15-25(29)30/h4-9,12-16H,2-3,10-11H2,1H3
InChIKey
PPZWVNWZLZBBQO-UHFFFAOYSA-N
Compound name
5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]phenyl]-2-propyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

426.16068 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.16796 204.0
[M+Na]+ 449.14990 212.6
[M-H]- 425.15340 209.3
[M+NH4]+ 444.19450 216.7
[M+K]+ 465.12384 203.5
[M+H-H2O]+ 409.15794 191.3
[M+HCOO]- 471.15888 219.4
[M+CH3COO]- 485.17453 212.4
[M+Na-2H]- 447.13535 198.7
[M]+ 426.16013 200.6
[M]- 426.16123 200.6
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

patents stripe