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

31
Patents

147.04843 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe