CID 519197

2-chloro-5-methoxy-1h-benzimidazole

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
COC1=CC2=C(C=C1)N=C(N2)Cl
InChI
InChI=1S/C8H7ClN2O/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11)
InChIKey
FMDGYQOERIOABX-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

182.02469 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03197 132.9
[M+Na]+ 205.01391 145.4
[M-H]- 181.01741 134.3
[M+NH4]+ 200.05851 153.8
[M+K]+ 220.98785 140.5
[M+H-H2O]+ 165.02195 127.0
[M+HCOO]- 227.02289 151.4
[M+CH3COO]- 241.03854 147.3
[M+Na-2H]- 202.99936 140.8
[M]+ 182.02414 136.7
[M]- 182.02524 136.7
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