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]+ 160.03238 125.8
[M+Na]+ 182.01432 136.8
[M-H]- 158.01782 127.2
[M+NH4]+ 177.05892 146.8
[M+K]+ 197.98826 133.0
[M+H-H2O]+ 142.02236 119.9
[M+HCOO]- 204.02330 144.1
[M+CH3COO]- 218.03895 176.8
[M+Na-2H]- 179.99977 132.9
[M]+ 159.02455 127.0
[M]- 159.02565 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.