CID 55971

89457-09-0

Structural Information

Molecular Formula
C11H9F3N2O2
SMILES
CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C(F)(F)F
InChI
InChI=1S/C11H9F3N2O2/c1-2-18-9(17)6-3-4-7-8(5-6)16-10(15-7)11(12,13)14/h3-5H,2H2,1H3,(H,15,16)
InChIKey
WOQXCSGTWFKUSU-UHFFFAOYSA-N
Compound name
ethyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

258.0616 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06888 155.3
[M+Na]+ 281.05082 164.0
[M+NH4]+ 276.09542 159.4
[M+K]+ 297.02476 161.5
[M-H]- 257.05432 150.2
[M+Na-2H]- 279.03627 157.7
[M]+ 258.06105 154.6
[M]- 258.06215 154.6
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