CID 2758964

4-fluorobenzylisocyanide

Structural Information

Molecular Formula
C8H6FN
SMILES
[C-]#[N+]CC1=CC=C(C=C1)F
InChI
InChI=1S/C8H6FN/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2
InChIKey
DLDWOKWGDHSJOK-UHFFFAOYSA-N
Compound name
1-fluoro-4-(isocyanomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

135.04843 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05571 125.6
[M+Na]+ 158.03765 139.9
[M+NH4]+ 153.08225 131.7
[M+K]+ 174.01159 130.9
[M-H]- 134.04115 121.0
[M+Na-2H]- 156.02310 130.8
[M]+ 135.04788 125.6
[M]- 135.04898 125.6
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