CID 129318574

66939-00-2

Structural Information

Molecular Formula
C16H12FN3O3
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3F
InChI
InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-6-9(8-13(12)19-15)14(21)10-4-2-3-5-11(10)17/h2-8H,1H3,(H2,18,19,20,22)
InChIKey
QTHXIRKBRCLTPI-UHFFFAOYSA-N
Compound name
methyl N-[6-(2-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.08627 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09355 169.4
[M+Na]+ 336.07549 181.3
[M+NH4]+ 331.12009 174.7
[M+K]+ 352.04943 177.8
[M-H]- 312.07899 170.0
[M+Na-2H]- 334.06094 175.3
[M]+ 313.08572 170.9
[M]- 313.08682 170.9
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.