CID 54772660

1-[1-methyl-5-(trifluoromethyl)-1h-1,3-benzodiazol-2-yl]ethan-1-one

Structural Information

Molecular Formula
C11H9F3N2O
SMILES
CC(=O)C1=NC2=C(N1C)C=CC(=C2)C(F)(F)F
InChI
InChI=1S/C11H9F3N2O/c1-6(17)10-15-8-5-7(11(12,13)14)3-4-9(8)16(10)2/h3-5H,1-2H3
InChIKey
RFOMHEPQLKQTPK-UHFFFAOYSA-N
Compound name
1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07398 148.1
[M+Na]+ 265.05592 160.5
[M-H]- 241.05942 147.5
[M+NH4]+ 260.10052 166.6
[M+K]+ 281.02986 156.4
[M+H-H2O]+ 225.06396 139.2
[M+HCOO]- 287.06490 166.0
[M+CH3COO]- 301.08055 193.2
[M+Na-2H]- 263.04137 152.5
[M]+ 242.06615 148.0
[M]- 242.06725 148.1
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.