CID 3061765

Brn 5598515

Structural Information

Molecular Formula
C15H11F3N2O
SMILES
CN1C2=C(C=C(C=C2)C(F)(F)F)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H11F3N2O/c1-19-12-8-7-10(15(16,17)18)9-13(12)20(14(19)21)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
WNRCISKEQLZPEG-UHFFFAOYSA-N
Compound name
1-methyl-3-phenyl-5-(trifluoromethyl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08234 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08962 162.5
[M+Na]+ 315.07156 175.7
[M-H]- 291.07506 165.3
[M+NH4]+ 310.11616 178.8
[M+K]+ 331.04550 169.3
[M+H-H2O]+ 275.07960 152.0
[M+HCOO]- 337.08054 181.4
[M+CH3COO]- 351.09619 201.4
[M+Na-2H]- 313.05701 167.2
[M]+ 292.08179 162.5
[M]- 292.08289 162.5
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.