CID 118687159

Dfvo2hitfb

Structural Information

Molecular Formula
C25H19F5O
SMILES
CCC1CC2=C(C1)C=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)OC=C(F)F)F)F
InChI
InChI=1S/C25H19F5O/c1-2-14-7-15-3-4-16(9-18(15)8-14)17-5-6-20(21(26)10-17)19-11-22(27)25(23(28)12-19)31-13-24(29)30/h3-6,9-14H,2,7-8H2,1H3
InChIKey
GXOJRPXLRSOKKU-UHFFFAOYSA-N
Compound name
5-[4-[4-(2,2-difluoroethenoxy)-3,5-difluorophenyl]-3-fluorophenyl]-2-ethyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

430.13562 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14290 202.7
[M+Na]+ 453.12484 212.7
[M-H]- 429.12834 207.3
[M+NH4]+ 448.16944 215.5
[M+K]+ 469.09878 203.5
[M+H-H2O]+ 413.13288 189.5
[M+HCOO]- 475.13382 217.4
[M+CH3COO]- 489.14947 231.4
[M+Na-2H]- 451.11029 196.6
[M]+ 430.13507 198.3
[M]- 430.13617 198.3
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