CID 129915487

4-(chloromethyl)-2,3-difluoropyridine

Structural Information

Molecular Formula
C6H4ClF2N
SMILES
C1=CN=C(C(=C1CCl)F)F
InChI
InChI=1S/C6H4ClF2N/c7-3-4-1-2-10-6(9)5(4)8/h1-2H,3H2
InChIKey
WPWPOWFLUPXKAN-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2,3-difluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.00003 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.007306 123.3
[M+Na]+ 185.989248 134.8
[M-H]- 161.992754 123.5
[M+NH4]+ 181.033853 144.1
[M+K]+ 201.963188 130.8
[M+H-H2O]+ 145.997290 116.6
[M+HCOO]- 207.998231 140.9
[M+CH3COO]- 222.013881 176.6
[M+Na-2H]- 183.974696 130.4
[M]+ 162.99948142 123.1
[M]- 163.00057858 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