CID 72525606

3pfpdfv

Structural Information

Molecular Formula
C17H15F3
SMILES
CCCC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)F)F)F
InChI
InChI=1S/C17H15F3/c1-2-3-12-4-6-13(7-5-12)16(19)17(20)14-8-10-15(18)11-9-14/h4-11H,2-3H2,1H3
InChIKey
IDFSQJNBWCQHAF-UHFFFAOYSA-N
Compound name
1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

276.11258 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11986 161.3
[M+Na]+ 299.10180 168.5
[M-H]- 275.10530 163.8
[M+NH4]+ 294.14640 177.2
[M+K]+ 315.07574 162.8
[M+H-H2O]+ 259.10984 151.2
[M+HCOO]- 321.11078 179.6
[M+CH3COO]- 335.12643 201.7
[M+Na-2H]- 297.08725 162.0
[M]+ 276.11203 156.8
[M]- 276.11313 156.8
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