CID 130951078

4-chloro-5-iodo-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C7H4ClIN2
SMILES
C1=CC(=C(C2=C1NC=N2)Cl)I
InChI
InChI=1S/C7H4ClIN2/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,(H,10,11)
InChIKey
OLAKLMSSIDHSMN-UHFFFAOYSA-N
Compound name
4-chloro-5-iodo-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.91077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.91805 130.2
[M+Na]+ 300.89999 135.7
[M-H]- 276.90349 124.6
[M+NH4]+ 295.94459 146.5
[M+K]+ 316.87393 136.2
[M+H-H2O]+ 260.90803 121.0
[M+HCOO]- 322.90897 143.9
[M+CH3COO]- 336.92462 140.5
[M+Na-2H]- 298.88544 126.9
[M]+ 277.91022 129.7
[M]- 277.91132 129.7
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

No patent data available for this compound.