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 142.5
[M+Na]+ 213.07984 151.3
[M-H]- 189.08334 145.5
[M+NH4]+ 208.12444 160.3
[M+K]+ 229.05378 148.6
[M+H-H2O]+ 173.08788 128.8
[M+HCOO]- 235.08882 162.3
[M+CH3COO]- 249.10447 201.4
[M+Na-2H]- 211.06529 146.1
[M]+ 190.09007 136.3
[M]- 190.09117 136.3
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