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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07926 148.0
[M+Na]+ 244.06120 157.8
[M-H]- 220.06470 149.2
[M+NH4]+ 239.10580 166.3
[M+K]+ 260.03514 151.0
[M+H-H2O]+ 204.06924 140.1
[M+HCOO]- 266.07018 161.6
[M+CH3COO]- 280.08583 159.6
[M+Na-2H]- 242.04665 150.7
[M]+ 221.07143 145.5
[M]- 221.07253 145.5
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

patents stripe