CID 146219926

2380323-07-7

Structural Information

Molecular Formula

C₁₃H₁₆BrFN₂O

SMILES

CC(C)N1C2=C(C(=CC(=C2)Br)F)N=C1C(C)(C)O

InChI

InChI=1S/C13H16BrFN2O/c1-7(2)17-10-6-8(14)5-9(15)11(10)16-12(17)13(3,4)18/h5-7,18H,1-4H3

InChIKey

RCUBUWYQWIBMHW-UHFFFAOYSA-N

Compound name

2-(6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 314.043 Da
Monoisotopic Mass: 2.7
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]+	315.05028	166.6
[M+Na]+	337.03222	180.7
[M-H]-	313.03572	170.0
[M+NH4]+	332.07682	185.6
[M+K]+	353.00616	168.5
[M+H-H2O]+	297.04026	165.8
[M+HCOO]-	359.04120	182.1
[M+CH3COO]-	373.05685	202.9
[M+Na-2H]-	335.01767	170.6
[M]+	314.04245	187.1
[M]-	314.04355	187.1

Literature stripe

literature stripe

Patent stripe

patents stripe