CID 22831749

887409-11-2

Structural Information

Molecular Formula
C11H11F3N2O2
SMILES
CCOC(=O)C1=CN=C(N=C1C2CC2)C(F)(F)F
InChI
InChI=1S/C11H11F3N2O2/c1-2-18-9(17)7-5-15-10(11(12,13)14)16-8(7)6-3-4-6/h5-6H,2-4H2,1H3
InChIKey
LMPVTQRVSPFCJM-UHFFFAOYSA-N
Compound name
ethyl 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07727 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.084546 155.9
[M+Na]+ 283.066488 166.5
[M-H]- 259.069994 157.2
[M+NH4]+ 278.111093 165.5
[M+K]+ 299.040428 162.1
[M+H-H2O]+ 243.074530 145.3
[M+HCOO]- 305.075471 172.7
[M+CH3COO]- 319.091121 197.4
[M+Na-2H]- 281.051936 159.5
[M]+ 260.07672142 156.7
[M]- 260.07781858 156.7
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.