CID 853953

Nsc405093

Structural Information

Molecular Formula
C17H15FN2
SMILES
CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CC=C2F
InChI
InChI=1S/C17H15FN2/c1-20(2)15-9-7-13(8-10-15)11-14(12-19)16-5-3-4-6-17(16)18/h3-11H,1-2H3/b14-11+
InChIKey
NEUQMXUGYVPJNJ-SDNWHVSQSA-N
Compound name
(Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
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

literature stripe

Patent stripe

patents stripe