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 152.0
[M+Na]+ 281.05082 162.9
[M-H]- 257.05432 149.6
[M+NH4]+ 276.09542 168.8
[M+K]+ 297.02476 158.6
[M+H-H2O]+ 241.05886 142.9
[M+HCOO]- 303.05980 168.7
[M+CH3COO]- 317.07545 190.8
[M+Na-2H]- 279.03627 156.7
[M]+ 258.06105 151.0
[M]- 258.06215 151.0
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