CID 118705096

1807169-54-5

Structural Information

Molecular Formula

C₈H₇ClFNO₂

SMILES

COC(=O)CC1=C(N=C(C=C1)Cl)F

InChI

InChI=1S/C8H7ClFNO2/c1-13-7(12)4-5-2-3-6(9)11-8(5)10/h2-3H,4H2,1H3

InChIKey

QBIDVKAYPJAKBJ-UHFFFAOYSA-N

Compound name

methyl 2-(6-chloro-2-fluoropyridin-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.01494 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.02222	137.2
[M+Na]+	226.00416	150.3
[M+NH4]+	221.04876	144.6
[M+K]+	241.97810	144.2
[M-H]-	202.00766	136.8
[M+Na-2H]-	223.98961	143.3
[M]+	203.01439	139.1
[M]-	203.01549	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe