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]+ 241.07717 150.0
[M+Na]+ 263.05911 160.5
[M-H]- 239.06261 153.3
[M+NH4]+ 258.10371 166.9
[M+K]+ 279.03305 154.5
[M+H-H2O]+ 223.06715 141.1
[M+HCOO]- 285.06809 170.6
[M+CH3COO]- 299.08374 162.5
[M+Na-2H]- 261.04456 155.8
[M]+ 240.06934 149.2
[M]- 240.07044 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