CID 53403744

2-(chloromethyl)-3,5-difluoropyridine

Structural Information

Molecular Formula
C6H4ClF2N
SMILES
C1=C(C=NC(=C1F)CCl)F
InChI
InChI=1S/C6H4ClF2N/c7-2-6-5(9)1-4(8)3-10-6/h1,3H,2H2
InChIKey
PNRQVTCCNSHPBG-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3,5-difluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

163.00003 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.00731 123.3
[M+Na]+ 185.98925 134.8
[M-H]- 161.99275 123.5
[M+NH4]+ 181.03385 144.1
[M+K]+ 201.96319 130.8
[M+H-H2O]+ 145.99729 116.6
[M+HCOO]- 207.99823 140.9
[M+CH3COO]- 222.01388 176.6
[M+Na-2H]- 183.97470 130.4
[M]+ 162.99948 123.1
[M]- 163.00058 123.1
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