CID 22995418

5,6-dichloro-n-isopropyl-1h-benzo[d]imidazol-2-amine

Structural Information

Molecular Formula
C10H11Cl2N3
SMILES
CC(C)NC1=NC2=CC(=C(C=C2N1)Cl)Cl
InChI
InChI=1S/C10H11Cl2N3/c1-5(2)13-10-14-8-3-6(11)7(12)4-9(8)15-10/h3-5H,1-2H3,(H2,13,14,15)
InChIKey
UJZLEUQGTILGOG-UHFFFAOYSA-N
Compound name
5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

243.033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04028 150.4
[M+Na]+ 266.02222 162.0
[M-H]- 242.02572 151.0
[M+NH4]+ 261.06682 169.0
[M+K]+ 281.99616 155.2
[M+H-H2O]+ 226.03026 144.6
[M+HCOO]- 288.03120 162.7
[M+CH3COO]- 302.04685 162.6
[M+Na-2H]- 264.00767 154.7
[M]+ 243.03245 153.5
[M]- 243.03355 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe