CID 54028269

3pcpdfv

Structural Information

Molecular Formula
C18H15F2N
SMILES
CCCC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)C#N)F)F
InChI
InChI=1S/C18H15F2N/c1-2-3-13-4-8-15(9-5-13)17(19)18(20)16-10-6-14(12-21)7-11-16/h4-11H,2-3H2,1H3
InChIKey
LDTJCICULKBMKG-UHFFFAOYSA-N
Compound name
4-[1,2-difluoro-2-(4-propylphenyl)ethenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.11725 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12453 167.0
[M+Na]+ 306.10647 176.1
[M-H]- 282.10997 169.5
[M+NH4]+ 301.15107 180.8
[M+K]+ 322.08041 168.7
[M+H-H2O]+ 266.11451 151.4
[M+HCOO]- 328.11545 182.7
[M+CH3COO]- 342.13110 213.0
[M+Na-2H]- 304.09192 167.3
[M]+ 283.11670 158.9
[M]- 283.11780 158.9
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