CID 83831804

2,7-dichloro-1-methyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C8H6Cl2N2
SMILES
CN1C2=C(C=CC=C2Cl)N=C1Cl
InChI
InChI=1S/C8H6Cl2N2/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3
InChIKey
BZFBMRJXGAQGDO-UHFFFAOYSA-N
Compound name
2,7-dichloro-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.9908 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.998076 136.2
[M+Na]+ 222.980018 150.3
[M-H]- 198.983524 138.3
[M+NH4]+ 218.024623 157.6
[M+K]+ 238.953958 144.4
[M+H-H2O]+ 182.988060 130.6
[M+HCOO]- 244.989001 150.5
[M+CH3COO]- 259.004651 150.7
[M+Na-2H]- 220.965466 142.8
[M]+ 199.99025142 141.5
[M]- 199.99134858 141.5
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

No patent data available for this compound.