CID 267661

Acetamide, n-1h-benzimidazol-2-yl-2,2,2-trifluoro-

Structural Information

Molecular Formula
C9H6F3N3O
SMILES
C1=CC=C2C(=C1)NC(=N2)NC(=O)C(F)(F)F
InChI
InChI=1S/C9H6F3N3O/c10-9(11,12)7(16)15-8-13-5-3-1-2-4-6(5)14-8/h1-4H,(H2,13,14,15,16)
InChIKey
DEBMOHFVGJVHLV-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.0463 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.053576 142.6
[M+Na]+ 252.035518 152.7
[M-H]- 228.039024 140.1
[M+NH4]+ 247.080123 159.9
[M+K]+ 268.009458 148.2
[M+H-H2O]+ 212.043560 133.4
[M+HCOO]- 274.044501 160.8
[M+CH3COO]- 288.060151 186.5
[M+Na-2H]- 250.020966 149.6
[M]+ 229.04575142 138.5
[M]- 229.04684858 138.5
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

patents stripe