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 146.2
[M+Na]+ 249.04461 156.6
[M+NH4]+ 244.08921 151.7
[M+K]+ 265.01855 153.8
[M-H]- 225.04811 143.0
[M+Na-2H]- 247.03006 149.7
[M]+ 226.05484 146.4
[M]- 226.05594 146.4
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.