CID 71811658

Tfpo-cf2-3hidfp

Structural Information

Molecular Formula
C25H19F7O
SMILES
CCCC1CC2=C(C1)C=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F
InChI
InChI=1S/C25H19F7O/c1-2-3-13-6-14-4-5-15(8-16(14)7-13)17-9-19(26)23(20(27)10-17)25(31,32)33-18-11-21(28)24(30)22(29)12-18/h4-5,8-13H,2-3,6-7H2,1H3
InChIKey
OTXAENCDDQISHM-UHFFFAOYSA-N
Compound name
5-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

468.13242 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.13970 211.4
[M+Na]+ 491.12164 222.7
[M-H]- 467.12514 213.8
[M+NH4]+ 486.16624 222.9
[M+K]+ 507.09558 213.3
[M+H-H2O]+ 451.12968 196.8
[M+HCOO]- 513.13062 222.9
[M+CH3COO]- 527.14627 238.8
[M+Na-2H]- 489.10709 205.4
[M]+ 468.13187 205.9
[M]- 468.13297 205.9
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