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

literature stripe

Patent stripe

patents stripe