CID 5372943

82344-56-7

Structural Information

Molecular Formula
C9H6FN
SMILES
C1=CC(=CC(=C1)F)/C=C/C#N
InChI
InChI=1S/C9H6FN/c10-9-5-1-3-8(7-9)4-2-6-11/h1-5,7H/b4-2+
InChIKey
LZCORSHIMPJAAK-DUXPYHPUSA-N
Compound name
(E)-3-(3-fluorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

147.04843 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.055706 127.8
[M+Na]+ 170.037648 138.6
[M-H]- 146.041154 130.1
[M+NH4]+ 165.082253 147.2
[M+K]+ 186.011588 134.6
[M+H-H2O]+ 130.045690 115.3
[M+HCOO]- 192.046631 148.0
[M+CH3COO]- 206.062281 187.8
[M+Na-2H]- 168.023096 134.4
[M]+ 147.04788142 121.3
[M]- 147.04897858 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

No literature data available for this compound.

Patent stripe

patents stripe