CID 46310294

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

Structural Information

Molecular Formula
C11H11F3N2O
SMILES
CC(C1=NC2=C(N1C)C=CC(=C2)C(F)(F)F)O
InChI
InChI=1S/C11H11F3N2O/c1-6(17)10-15-8-5-7(11(12,13)14)3-4-9(8)16(10)2/h3-6,17H,1-2H3
InChIKey
BRURGSKWINBYTO-UHFFFAOYSA-N
Compound name
1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08235 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08963 149.8
[M+Na]+ 267.07157 161.4
[M-H]- 243.07507 147.8
[M+NH4]+ 262.11617 167.6
[M+K]+ 283.04551 157.1
[M+H-H2O]+ 227.07961 141.2
[M+HCOO]- 289.08055 166.0
[M+CH3COO]- 303.09620 191.5
[M+Na-2H]- 265.05702 153.7
[M]+ 244.08180 148.6
[M]- 244.08290 148.6
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.