CID 23181834

1515807-30-3

Structural Information

Molecular Formula
C14H9FN2O
SMILES
C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)N=CN3)F
InChI
InChI=1S/C14H9FN2O/c15-11-4-1-9(2-5-11)14(18)10-3-6-12-13(7-10)17-8-16-12/h1-8H,(H,16,17)
InChIKey
JWCPXLUHKJAEHS-UHFFFAOYSA-N
Compound name
3H-benzimidazol-5-yl-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

240.06989 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.077166 150.0
[M+Na]+ 263.059108 160.5
[M-H]- 239.062614 153.3
[M+NH4]+ 258.103713 166.9
[M+K]+ 279.033048 154.5
[M+H-H2O]+ 223.067150 141.1
[M+HCOO]- 285.068091 170.6
[M+CH3COO]- 299.083741 162.5
[M+Na-2H]- 261.044556 155.8
[M]+ 240.06934142 149.2
[M]- 240.07043858 149.2
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

patents stripe