CID 58432791

956907-37-2

Structural Information

Molecular Formula
C14H11F3N2O3
SMILES
CC1=CN=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)OC
InChI
InChI=1S/C14H11F3N2O3/c1-8-7-18-11(13(21)22-2)12(20)19(8)10-5-3-4-9(6-10)14(15,16)17/h3-7H,1-2H3
InChIKey
GKLVAKXDKJQEAT-UHFFFAOYSA-N
Compound name
methyl 5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

312.07217 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07945 165.8
[M+Na]+ 335.06139 176.9
[M-H]- 311.06489 167.1
[M+NH4]+ 330.10599 178.1
[M+K]+ 351.03533 172.7
[M+H-H2O]+ 295.06943 154.8
[M+HCOO]- 357.07037 182.6
[M+CH3COO]- 371.08602 204.7
[M+Na-2H]- 333.04684 168.9
[M]+ 312.07162 165.7
[M]- 312.07272 165.7
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

patents stripe