CID 60835496

1060803-19-1

Structural Information

Molecular Formula
C7H6IN3
SMILES
C1=CC2=C(C=C1I)NC(=N2)N
InChI
InChI=1S/C7H6IN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChIKey
ZWCSKUASORKDRC-UHFFFAOYSA-N
Compound name
6-iodo-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

258.96063 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.967906 133.6
[M+Na]+ 281.949848 137.6
[M-H]- 257.953354 127.9
[M+NH4]+ 276.994453 149.3
[M+K]+ 297.923788 139.3
[M+H-H2O]+ 241.957890 123.7
[M+HCOO]- 303.958831 152.0
[M+CH3COO]- 317.974481 143.4
[M+Na-2H]- 279.935296 129.8
[M]+ 258.96008142 129.8
[M]- 258.96117858 129.8
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