CID 11601319

705262-59-5

Structural Information

Molecular Formula
C8H7IN2
SMILES
CN1C=NC2=C1C=CC(=C2)I
InChI
InChI=1S/C8H7IN2/c1-11-5-10-7-4-6(9)2-3-8(7)11/h2-5H,1H3
InChIKey
FICFHKVMTDTBBL-UHFFFAOYSA-N
Compound name
5-iodo-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

257.9654 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97268 134.3
[M+Na]+ 280.95462 141.4
[M+NH4]+ 275.99922 139.4
[M+K]+ 296.92856 139.4
[M-H]- 256.95812 130.1
[M+Na-2H]- 278.94007 129.6
[M]+ 257.96485 133.1
[M]- 257.96595 133.1
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