CID 71651406

3-chloro-5-fluoropyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H2ClFN2
SMILES
C1=C(C=NC(=C1Cl)C#N)F
InChI
InChI=1S/C6H2ClFN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H
InChIKey
BOPFMFYCILEZDH-UHFFFAOYSA-N
Compound name
3-chloro-5-fluoropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

155.98906 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.99634 122.6
[M+Na]+ 178.97828 135.5
[M-H]- 154.98178 123.7
[M+NH4]+ 174.02288 141.4
[M+K]+ 194.95222 131.2
[M+H-H2O]+ 138.98632 110.2
[M+HCOO]- 200.98726 138.1
[M+CH3COO]- 215.00291 187.8
[M+Na-2H]- 176.96373 129.8
[M]+ 155.98851 118.2
[M]- 155.98961 118.2
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