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]+ 227.06267 143.5
[M+Na]+ 249.04461 154.1
[M-H]- 225.04811 142.4
[M+NH4]+ 244.08921 161.4
[M+K]+ 265.01855 150.5
[M+H-H2O]+ 209.05265 135.0
[M+HCOO]- 271.05359 162.3
[M+CH3COO]- 285.06924 186.2
[M+Na-2H]- 247.03006 147.4
[M]+ 226.05484 143.4
[M]- 226.05594 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.