CID 66545118

Ethyl 5-chloro-4-(trifluoromethyl)pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H7ClF3NO2
SMILES
CCOC(=O)C1=NC=C(C(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-3-5(9(11,12)13)6(10)4-14-7/h3-4H,2H2,1H3
InChIKey
QGRRMWWTQIZVMW-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-4-(trifluoromethyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

253.01173 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.019006 145.2
[M+Na]+ 276.000948 155.9
[M-H]- 252.004454 144.2
[M+NH4]+ 271.045553 162.3
[M+K]+ 291.974888 152.0
[M+H-H2O]+ 236.008990 137.3
[M+HCOO]- 298.009931 158.9
[M+CH3COO]- 312.025581 191.3
[M+Na-2H]- 273.986396 149.6
[M]+ 253.01118142 145.8
[M]- 253.01227858 145.8
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