CID 78572

2-chlorobenzimidazole

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=CC=C2C(=C1)NC(=N2)Cl
InChI
InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
InChIKey
AYPSHJCKSDNETA-UHFFFAOYSA-N
Compound name
2-chloro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5238
Patents

152.01413 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 124.8
[M+Na]+ 175.00335 140.3
[M+NH4]+ 170.04795 134.7
[M+K]+ 190.97729 134.3
[M-H]- 151.00685 126.5
[M+Na-2H]- 172.98880 133.0
[M]+ 152.01358 127.8
[M]- 152.01468 127.8
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