CID 737519

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

Structural Information

Molecular Formula
C11H11FN2
SMILES
CN(C)/C=C(\C#N)/C1=CC=C(C=C1)F
InChI
InChI=1S/C11H11FN2/c1-14(2)8-10(7-13)9-3-5-11(12)6-4-9/h3-6,8H,1-2H3/b10-8+
InChIKey
UPUOACPCFNKEMQ-CSKARUKUSA-N
Compound name
(Z)-3-(dimethylamino)-2-(4-fluorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.09062 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09790 145.0
[M+Na]+ 213.07984 156.1
[M+NH4]+ 208.12444 149.5
[M+K]+ 229.05378 146.3
[M-H]- 189.08334 139.1
[M+Na-2H]- 211.06529 148.6
[M]+ 190.09007 144.0
[M]- 190.09117 144.0
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