CID 12693244

7-chloro-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=CC2=C(C(=C1)Cl)N=CN2
InChI
InChI=1S/C7H5ClN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
InChIKey
RPYPMOKNVPZWKZ-UHFFFAOYSA-N
Compound name
4-chloro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

152.01413 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 125.2
[M+Na]+ 175.00335 137.3
[M-H]- 151.00685 126.3
[M+NH4]+ 170.04795 147.0
[M+K]+ 190.97729 132.1
[M+H-H2O]+ 135.01139 119.3
[M+HCOO]- 197.01233 143.7
[M+CH3COO]- 211.02798 139.7
[M+Na-2H]- 172.98880 134.4
[M]+ 152.01358 126.8
[M]- 152.01468 126.8
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