CID 46311239

1200498-40-3

Structural Information

Molecular Formula
C7H5ClFNO2
SMILES
COC(=O)C1=C(C=C(C=N1)Cl)F
InChI
InChI=1S/C7H5ClFNO2/c1-12-7(11)6-5(9)2-4(8)3-10-6/h2-3H,1H3
InChIKey
CSCZOWZTTGYYRE-UHFFFAOYSA-N
Compound name
methyl 5-chloro-3-fluoropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

188.99928 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.00656 130.6
[M+Na]+ 211.98850 141.6
[M-H]- 187.99200 132.3
[M+NH4]+ 207.03310 150.2
[M+K]+ 227.96244 138.7
[M+H-H2O]+ 171.99654 124.5
[M+HCOO]- 233.99748 148.6
[M+CH3COO]- 248.01313 180.1
[M+Na-2H]- 209.97395 136.5
[M]+ 188.99873 133.4
[M]- 188.99983 133.4
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