CID 2758962

2-fluorobenzylisocyanide

Structural Information

Molecular Formula
C8H6FN
SMILES
[C-]#[N+]CC1=CC=CC=C1F
InChI
InChI=1S/C8H6FN/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2
InChIKey
MCNREKRSJDEJPJ-UHFFFAOYSA-N
Compound name
1-fluoro-2-(isocyanomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe