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]+ 261.08455 155.9
[M+Na]+ 283.06649 166.5
[M-H]- 259.06999 157.2
[M+NH4]+ 278.11109 165.5
[M+K]+ 299.04043 162.1
[M+H-H2O]+ 243.07453 145.3
[M+HCOO]- 305.07547 172.7
[M+CH3COO]- 319.09112 197.4
[M+Na-2H]- 281.05194 159.5
[M]+ 260.07672 156.7
[M]- 260.07782 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.