CID 2759052

2-fluorophenethylisocyanide

Structural Information

Molecular Formula
C9H8FN
SMILES
[C-]#[N+]CCC1=CC=CC=C1F
InChI
InChI=1S/C9H8FN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2
InChIKey
SUKNCHUYYFFYEV-UHFFFAOYSA-N
Compound name
1-fluoro-2-(2-isocyanoethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

149.06407 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07135 132.4
[M+Na]+ 172.05329 142.5
[M-H]- 148.05679 133.4
[M+NH4]+ 167.09789 150.9
[M+K]+ 188.02723 134.1
[M+H-H2O]+ 132.06133 124.6
[M+HCOO]- 194.06227 151.6
[M+CH3COO]- 208.07792 180.8
[M+Na-2H]- 170.03874 139.5
[M]+ 149.06352 123.5
[M]- 149.06462 123.5
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