CID 198655

89427-48-5

Structural Information

Molecular Formula
C11H10F3N3O
SMILES
CCC(=O)NC1=CC2=C(C=C1)N=C(N2)C(F)(F)F
InChI
InChI=1S/C11H10F3N3O/c1-2-9(18)15-6-3-4-7-8(5-6)17-10(16-7)11(12,13)14/h3-5H,2H2,1H3,(H,15,18)(H,16,17)
InChIKey
FRIWIMPDXXTXTA-UHFFFAOYSA-N
Compound name
N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0776 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.084876 152.4
[M+Na]+ 280.066818 162.5
[M-H]- 256.070324 150.0
[M+NH4]+ 275.111423 168.9
[M+K]+ 296.040758 157.6
[M+H-H2O]+ 240.074860 143.1
[M+HCOO]- 302.075801 169.9
[M+CH3COO]- 316.091451 193.7
[M+Na-2H]- 278.052266 157.6
[M]+ 257.07705142 149.3
[M]- 257.07814858 149.3
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.