CID 54211940

Mepfcpdfv

Structural Information

Molecular Formula
C16H10F3N
SMILES
CC1=CC=C(C=C1)C(=C(C2=CC(=C(C=C2)C#N)F)F)F
InChI
InChI=1S/C16H10F3N/c1-10-2-4-11(5-3-10)15(18)16(19)12-6-7-13(9-20)14(17)8-12/h2-8H,1H3
InChIKey
PWNKHZDPPODMGY-UHFFFAOYSA-N
Compound name
4-[1,2-difluoro-2-(4-methylphenyl)ethenyl]-2-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.07654 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08382 159.6
[M+Na]+ 296.06576 170.2
[M-H]- 272.06926 161.4
[M+NH4]+ 291.11036 173.9
[M+K]+ 312.03970 163.1
[M+H-H2O]+ 256.07380 143.7
[M+HCOO]- 318.07474 175.0
[M+CH3COO]- 332.09039 211.2
[M+Na-2H]- 294.05121 159.8
[M]+ 273.07599 150.2
[M]- 273.07709 150.2
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