CID 2775098

175135-15-6

Structural Information

Molecular Formula

C₁₁H₁₁F₃N₂O

SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CCCO

InChI

InChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-8-9(6-7)16-10(15-8)2-1-5-17/h3-4,6,17H,1-2,5H2,(H,15,16)

InChIKey

FDRMNTVCDKSRNL-UHFFFAOYSA-N

Compound name

3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 244.08235 Da
Monoisotopic Mass: 2.1
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]+	245.08963	152.5
[M+Na]+	267.07157	161.5
[M+NH4]+	262.11617	157.2
[M+K]+	283.04551	158.1
[M-H]-	243.07507	147.8
[M+Na-2H]-	265.05702	155.3
[M]+	244.08180	152.0
[M]-	244.08290	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe