CID 507394

1h-benzimidazole-1-acetonitrile, 2-(2-fluorophenyl)-4-methoxy-

Structural Information

Molecular Formula
C16H12FN3O
SMILES
COC1=CC=CC2=C1N=C(N2CC#N)C3=CC=CC=C3F
InChI
InChI=1S/C16H12FN3O/c1-21-14-8-4-7-13-15(14)19-16(20(13)10-9-18)11-5-2-3-6-12(11)17/h2-8H,10H2,1H3
InChIKey
MMMWKCCRBRYAKS-UHFFFAOYSA-N
Compound name
2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.09644 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10372 162.8
[M+Na]+ 304.08566 176.0
[M-H]- 280.08916 165.3
[M+NH4]+ 299.13026 177.1
[M+K]+ 320.05960 168.3
[M+H-H2O]+ 264.09370 146.3
[M+HCOO]- 326.09464 180.9
[M+CH3COO]- 340.11029 173.4
[M+Na-2H]- 302.07111 166.6
[M]+ 281.09589 160.3
[M]- 281.09699 160.3
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.