CID 129968263

Methyl 5-(chloromethyl)-3-fluoropyridine-2-carboxylate

Structural Information

Molecular Formula
C8H7ClFNO2
SMILES
COC(=O)C1=C(C=C(C=N1)CCl)F
InChI
InChI=1S/C8H7ClFNO2/c1-13-8(12)7-6(10)2-5(3-9)4-11-7/h2,4H,3H2,1H3
InChIKey
KVLCNEGWNNJTID-UHFFFAOYSA-N
Compound name
methyl 5-(chloromethyl)-3-fluoropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01494 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02222 135.4
[M+Na]+ 226.00416 146.0
[M-H]- 202.00766 136.9
[M+NH4]+ 221.04876 154.5
[M+K]+ 241.97810 142.8
[M+H-H2O]+ 186.01220 129.1
[M+HCOO]- 248.01314 153.1
[M+CH3COO]- 262.02879 183.1
[M+Na-2H]- 223.98961 140.7
[M]+ 203.01439 138.5
[M]- 203.01549 138.5
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.