CID 57755139

1,1,6,7-tetrafluoro-2-(4-propylcyclohexyl)-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C18H22F4
SMILES
CCCC1CCC(CC1)C2CC3=C(C2(F)F)C(=C(C=C3)F)F
InChI
InChI=1S/C18H22F4/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-15(19)17(20)16(13)18(14,21)22/h8-9,11-12,14H,2-7,10H2,1H3
InChIKey
IJAWDAPLCKDYRT-UHFFFAOYSA-N
Compound name
3,3,4,5-tetrafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

314.16577 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17305 172.6
[M+Na]+ 337.15499 180.8
[M-H]- 313.15849 174.6
[M+NH4]+ 332.19959 192.5
[M+K]+ 353.12893 174.1
[M+H-H2O]+ 297.16303 162.7
[M+HCOO]- 359.16397 186.1
[M+CH3COO]- 373.17962 209.0
[M+Na-2H]- 335.14044 169.8
[M]+ 314.16522 164.5
[M]- 314.16632 164.5
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