CID 167736455

6-bromo-5-chloro-1-methyl-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C8H7BrClN3
SMILES
CN1C2=CC(=C(C=C2N=C1N)Cl)Br
InChI
InChI=1S/C8H7BrClN3/c1-13-7-2-4(9)5(10)3-6(7)12-8(13)11/h2-3H,1H3,(H2,11,12)
InChIKey
WJMIKNDDKYUWLK-UHFFFAOYSA-N
Compound name
6-bromo-5-chloro-1-methylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.9512 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.95848 144.2
[M+Na]+ 281.94042 161.1
[M-H]- 257.94392 149.8
[M+NH4]+ 276.98502 166.4
[M+K]+ 297.91436 147.4
[M+H-H2O]+ 241.94846 144.2
[M+HCOO]- 303.94940 162.0
[M+CH3COO]- 317.96505 160.3
[M+Na-2H]- 279.92587 151.5
[M]+ 258.95065 165.9
[M]- 258.95175 165.9
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.