CID 54957

83003-97-8

Structural Information

Molecular Formula
C10H8F3N3O
SMILES
CC(=O)NC1=CC2=C(C=C1)N=C(N2)C(F)(F)F
InChI
InChI=1S/C10H8F3N3O/c1-5(17)14-6-2-3-7-8(4-6)16-9(15-7)10(11,12)13/h2-4H,1H3,(H,14,17)(H,15,16)
InChIKey
DXLUUMMINGDWEA-UHFFFAOYSA-N
Compound name
N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

243.06195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06923 147.7
[M+Na]+ 266.05117 158.3
[M-H]- 242.05467 145.5
[M+NH4]+ 261.09577 164.8
[M+K]+ 282.02511 153.6
[M+H-H2O]+ 226.05921 138.6
[M+HCOO]- 288.06015 165.6
[M+CH3COO]- 302.07580 190.7
[M+Na-2H]- 264.03662 153.5
[M]+ 243.06140 144.3
[M]- 243.06250 144.3
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

patents stripe