CID 853952

3-(4-(dimethylamino)phenyl)-2-(3-fluorophenyl)acrylonitrile

Structural Information

Molecular Formula
C17H15FN2
SMILES
CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC(=CC=C2)F
InChI
InChI=1S/C17H15FN2/c1-20(2)17-8-6-13(7-9-17)10-15(12-19)14-4-3-5-16(18)11-14/h3-11H,1-2H3/b15-10+
InChIKey
BXRRXWLGBINIFJ-XNTDXEJSSA-N
Compound name
(Z)-3-[4-(dimethylamino)phenyl]-2-(3-fluorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12192 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12920 165.9
[M+Na]+ 289.11114 174.8
[M-H]- 265.11464 170.9
[M+NH4]+ 284.15574 180.6
[M+K]+ 305.08508 169.0
[M+H-H2O]+ 249.11918 150.6
[M+HCOO]- 311.12012 185.0
[M+CH3COO]- 325.13577 214.6
[M+Na-2H]- 287.09659 167.8
[M]+ 266.12137 159.4
[M]- 266.12247 159.4
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

No patent data available for this compound.