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 145.2
[M+Na]+ 253.05592 157.6
[M-H]- 229.05942 143.2
[M+NH4]+ 248.10052 163.6
[M+K]+ 269.02986 153.0
[M+H-H2O]+ 213.06396 136.6
[M+HCOO]- 275.06490 162.8
[M+CH3COO]- 289.08055 187.6
[M+Na-2H]- 251.04137 150.8
[M]+ 230.06615 144.3
[M]- 230.06725 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

No patent data available for this compound.