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]+ 259.96791 133.6
[M+Na]+ 281.94985 137.6
[M-H]- 257.95335 127.9
[M+NH4]+ 276.99445 149.3
[M+K]+ 297.92379 139.3
[M+H-H2O]+ 241.95789 123.7
[M+HCOO]- 303.95883 152.0
[M+CH3COO]- 317.97448 143.4
[M+Na-2H]- 279.93530 129.8
[M]+ 258.96008 129.8
[M]- 258.96118 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