CID 146155767

3-chloro-2,4-difluoro-5-methylpyridine

Structural Information

Molecular Formula
C6H4ClF2N
SMILES
CC1=CN=C(C(=C1F)Cl)F
InChI
InChI=1S/C6H4ClF2N/c1-3-2-10-6(9)4(7)5(3)8/h2H,1H3
InChIKey
LDQCWZYLJKRUHM-UHFFFAOYSA-N
Compound name
3-chloro-2,4-difluoro-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.00003 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.007306 122.9
[M+Na]+ 185.989248 135.2
[M-H]- 161.992754 123.4
[M+NH4]+ 181.033853 143.9
[M+K]+ 201.963188 131.3
[M+H-H2O]+ 145.997290 116.4
[M+HCOO]- 207.998231 140.4
[M+CH3COO]- 222.013881 177.7
[M+Na-2H]- 183.974696 129.2
[M]+ 162.99948142 123.0
[M]- 163.00057858 123.0
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.