CID 5372942

4-fluorocinnamonitrile

Structural Information

Molecular Formula
C9H6FN
SMILES
C1=CC(=CC=C1/C=C/C#N)F
InChI
InChI=1S/C9H6FN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H/b2-1+
InChIKey
WVWTVBZOOBKCKI-OWOJBTEDSA-N
Compound name
(E)-3-(4-fluorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

147.04843 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05571 127.8
[M+Na]+ 170.03765 138.6
[M-H]- 146.04115 130.1
[M+NH4]+ 165.08225 147.2
[M+K]+ 186.01159 134.6
[M+H-H2O]+ 130.04569 115.3
[M+HCOO]- 192.04663 148.0
[M+CH3COO]- 206.06228 187.8
[M+Na-2H]- 168.02310 134.4
[M]+ 147.04788 121.3
[M]- 147.04898 121.3
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