CID 271286

5-chloro-2-(chloromethyl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C8H6Cl2N2
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)CCl
InChI
InChI=1S/C8H6Cl2N2/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,4H2,(H,11,12)
InChIKey
CJNALUZDTPETCS-UHFFFAOYSA-N
Compound name
6-chloro-2-(chloromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

199.9908 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.998076 136.4
[M+Na]+ 222.980018 149.1
[M-H]- 198.983524 136.8
[M+NH4]+ 218.024623 156.8
[M+K]+ 238.953958 142.4
[M+H-H2O]+ 182.988060 130.8
[M+HCOO]- 244.989001 149.2
[M+CH3COO]- 259.004651 149.9
[M+Na-2H]- 220.965466 143.3
[M]+ 199.99025142 139.5
[M]- 199.99134858 139.5
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

patents stripe