CID 469417

5,6-dibromo-2-chloro-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C7H3Br2ClN2
SMILES
C1=C2C(=CC(=C1Br)Br)N=C(N2)Cl
InChI
InChI=1S/C7H3Br2ClN2/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H,11,12)
InChIKey
ZKYRZYZWRSJKNP-UHFFFAOYSA-N
Compound name
5,6-dibromo-2-chloro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

307.83514 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.84242 137.7
[M+Na]+ 330.82436 153.0
[M-H]- 306.82786 143.3
[M+NH4]+ 325.86896 157.8
[M+K]+ 346.79830 135.9
[M+H-H2O]+ 290.83240 146.9
[M+HCOO]- 352.83334 150.0
[M+CH3COO]- 366.84899 152.9
[M+Na-2H]- 328.80981 146.3
[M]+ 307.83459 173.7
[M]- 307.83569 173.7
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