CID 72212912

3-(chloromethyl)-2-fluoro-5-methylpyridine

Structural Information

Molecular Formula
C7H7ClFN
SMILES
CC1=CC(=C(N=C1)F)CCl
InChI
InChI=1S/C7H7ClFN/c1-5-2-6(3-8)7(9)10-4-5/h2,4H,3H2,1H3
InChIKey
JYKSUUPPFPHCLX-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-2-fluoro-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0251 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.032376 125.8
[M+Na]+ 182.014318 136.8
[M-H]- 158.017824 127.2
[M+NH4]+ 177.058923 146.8
[M+K]+ 197.988258 133.0
[M+H-H2O]+ 142.022360 119.9
[M+HCOO]- 204.023301 144.1
[M+CH3COO]- 218.038951 176.8
[M+Na-2H]- 179.999766 132.9
[M]+ 159.02455142 127.0
[M]- 159.02564858 127.0
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.