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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.073976	145.2
[M+Na]+	253.055918	157.6
[M-H]-	229.059424	143.2
[M+NH4]+	248.100523	163.6
[M+K]+	269.029858	153.0
[M+H-H2O]+	213.063960	136.6
[M+HCOO]-	275.064901	162.8
[M+CH3COO]-	289.080551	187.6
[M+Na-2H]-	251.041366	150.8
[M]+	230.06615142	144.3
[M]-	230.06724858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.