CID 46310293

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

Structural Information

Molecular Formula
C10H9F3N2O
SMILES
CN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CO
InChI
InChI=1S/C10H9F3N2O/c1-15-8-3-2-6(10(11,12)13)4-7(8)14-9(15)5-16/h2-4,16H,5H2,1H3
InChIKey
KFUAFUXUUDKMMQ-UHFFFAOYSA-N
Compound name
[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07398 149.4
[M+Na]+ 253.05592 159.4
[M+NH4]+ 248.10052 154.6
[M+K]+ 269.02986 156.0
[M-H]- 229.05942 145.2
[M+Na-2H]- 251.04137 152.7
[M]+ 230.06615 149.3
[M]- 230.06725 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.