CID 43114474

5-chloro-2-(pyrrolidin-2-yl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula

C₁₁H₁₂ClN₃

SMILES

C1CC(NC1)C2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C11H12ClN3/c12-7-3-4-8-10(6-7)15-11(14-8)9-2-1-5-13-9/h3-4,6,9,13H,1-2,5H2,(H,14,15)

InChIKey

WTWLSXNDPSJKCT-UHFFFAOYSA-N

Compound name

6-chloro-2-pyrrolidin-2-yl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 221.07198 Da
Monoisotopic Mass: 2.0
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]+	222.079256	148.0
[M+Na]+	244.061198	157.8
[M-H]-	220.064704	149.2
[M+NH4]+	239.105803	166.3
[M+K]+	260.035138	151.0
[M+H-H2O]+	204.069240	140.1
[M+HCOO]-	266.070181	161.6
[M+CH3COO]-	280.085831	159.6
[M+Na-2H]-	242.046646	150.7
[M]+	221.07143142	145.5
[M]-	221.07252858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe