CID 469420

2-chloro-5-iodo-1h-benzo[d]imidazol-6-amine

Structural Information

Molecular Formula
C7H5ClIN3
SMILES
C1=C(C(=CC2=C1N=C(N2)Cl)I)N
InChI
InChI=1S/C7H5ClIN3/c8-7-11-5-1-3(9)4(10)2-6(5)12-7/h1-2H,10H2,(H,11,12)
InChIKey
SGLZOBHYWCZASX-UHFFFAOYSA-N
Compound name
2-chloro-6-iodo-1H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

292.92166 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.92894 138.4
[M+Na]+ 315.91088 143.9
[M-H]- 291.91438 132.8
[M+NH4]+ 310.95548 153.9
[M+K]+ 331.88482 144.0
[M+H-H2O]+ 275.91892 129.2
[M+HCOO]- 337.91986 152.4
[M+CH3COO]- 351.93551 148.1
[M+Na-2H]- 313.89633 133.6
[M]+ 292.92111 136.7
[M]- 292.92221 136.7
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.