CID 131216693

Methyl 2-(2-chloro-3-fluoropyridin-4-yl)acetate

Structural Information

Molecular Formula
C8H7ClFNO2
SMILES
COC(=O)CC1=C(C(=NC=C1)Cl)F
InChI
InChI=1S/C8H7ClFNO2/c1-13-6(12)4-5-2-3-11-8(9)7(5)10/h2-3H,4H2,1H3
InChIKey
XODJEYRKGORNBE-UHFFFAOYSA-N
Compound name
methyl 2-(2-chloro-3-fluoro-4-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.01494 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.022216 135.4
[M+Na]+ 226.004158 146.0
[M-H]- 202.007664 136.9
[M+NH4]+ 221.048763 154.5
[M+K]+ 241.978098 142.8
[M+H-H2O]+ 186.012200 129.1
[M+HCOO]- 248.013141 153.1
[M+CH3COO]- 262.028791 183.1
[M+Na-2H]- 223.989606 140.7
[M]+ 203.01439142 138.5
[M]- 203.01548858 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

patents stripe