CID 72213751

3-fluoro-5-isocyanatopyridine

Structural Information

Molecular Formula
C6H3FN2O
SMILES
C1=C(C=NC=C1F)N=C=O
InChI
InChI=1S/C6H3FN2O/c7-5-1-6(9-4-10)3-8-2-5/h1-3H
InChIKey
RCIHSVYGNHTAFM-UHFFFAOYSA-N
Compound name
3-fluoro-5-isocyanatopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.02293 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03021 120.8
[M+Na]+ 161.01215 130.7
[M-H]- 137.01565 123.8
[M+NH4]+ 156.05675 141.7
[M+K]+ 176.98609 129.2
[M+H-H2O]+ 121.02019 113.5
[M+HCOO]- 183.02113 147.3
[M+CH3COO]- 197.03678 175.7
[M+Na-2H]- 158.99760 130.4
[M]+ 138.02238 120.5
[M]- 138.02348 120.5
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

No patent data available for this compound.