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 168.4
[M+Na]+ 336.07549 177.6
[M-H]- 312.07899 171.9
[M+NH4]+ 331.12009 182.0
[M+K]+ 352.04943 172.5
[M+H-H2O]+ 296.08353 158.9
[M+HCOO]- 358.08447 188.9
[M+CH3COO]- 372.10012 204.4
[M+Na-2H]- 334.06094 172.0
[M]+ 313.08572 169.3
[M]- 313.08682 169.3
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.