CID 198655

Propionamide, n-(2-(trifluoromethyl)-5-benzimidazolyl)-

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]+ 258.08488 152.4
[M+Na]+ 280.06682 162.5
[M-H]- 256.07032 150.0
[M+NH4]+ 275.11142 168.9
[M+K]+ 296.04076 157.6
[M+H-H2O]+ 240.07486 143.1
[M+HCOO]- 302.07580 169.9
[M+CH3COO]- 316.09145 193.7
[M+Na-2H]- 278.05227 157.6
[M]+ 257.07705 149.3
[M]- 257.07815 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.