CID 71306086

1363210-38-1

Structural Information

Molecular Formula
C9H8F3NO2
SMILES
COC(=O)CC1=CN=C(C=C1)C(F)(F)F
InChI
InChI=1S/C9H8F3NO2/c1-15-8(14)4-6-2-3-7(13-5-6)9(10,11)12/h2-3,5H,4H2,1H3
InChIKey
HMZVFXFYWDERMR-UHFFFAOYSA-N
Compound name
methyl 2-[6-(trifluoromethyl)pyridin-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.05072 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05800 141.7
[M+Na]+ 242.03994 150.8
[M-H]- 218.04344 140.4
[M+NH4]+ 237.08454 159.0
[M+K]+ 258.01388 148.8
[M+H-H2O]+ 202.04798 132.9
[M+HCOO]- 264.04892 159.9
[M+CH3COO]- 278.06457 186.3
[M+Na-2H]- 240.02539 147.0
[M]+ 219.05017 139.9
[M]- 219.05127 139.9
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.