CID 43338680

1097107-40-8

Structural Information

Molecular Formula
C14H9FN2O2
SMILES
C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)NC(=O)N3)F
InChI
InChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13(18)9-3-6-11-12(7-9)17-14(19)16-11/h1-7H,(H2,16,17,19)
InChIKey
DQWBRTHPRMPYTA-UHFFFAOYSA-N
Compound name
5-(4-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06482 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07210 153.1
[M+Na]+ 279.05404 164.1
[M-H]- 255.05754 155.4
[M+NH4]+ 274.09864 168.8
[M+K]+ 295.02798 157.3
[M+H-H2O]+ 239.06208 144.6
[M+HCOO]- 301.06302 172.5
[M+CH3COO]- 315.07867 165.1
[M+Na-2H]- 277.03949 157.7
[M]+ 256.06427 151.6
[M]- 256.06537 151.6
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.