CID 76845954

1336890-32-4

Structural Information

Molecular Formula
C10H8F2N2O2
SMILES
COC(=O)C1=C2C(=CC=C1)NC(=N2)C(F)F
InChI
InChI=1S/C10H8F2N2O2/c1-16-10(15)5-3-2-4-6-7(5)14-9(13-6)8(11)12/h2-4,8H,1H3,(H,13,14)
InChIKey
OSSQSNRYTWUFGF-UHFFFAOYSA-N
Compound name
methyl 2-(difluoromethyl)-1H-benzimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.05539 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.062666 143.5
[M+Na]+ 249.044608 154.1
[M-H]- 225.048114 142.4
[M+NH4]+ 244.089213 161.4
[M+K]+ 265.018548 150.5
[M+H-H2O]+ 209.052650 135.0
[M+HCOO]- 271.053591 162.3
[M+CH3COO]- 285.069241 186.2
[M+Na-2H]- 247.030056 147.4
[M]+ 226.05484142 143.4
[M]- 226.05593858 143.4
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.