CID 335838

2,5-diiodo-1-methyl-1h-imidazole

Structural Information

Molecular Formula
C4H4I2N2
SMILES
CN1C(=CN=C1I)I
InChI
InChI=1S/C4H4I2N2/c1-8-3(5)2-7-4(8)6/h2H,1H3
InChIKey
SZYKHAFVWJNSQU-UHFFFAOYSA-N
Compound name
2,5-diiodo-1-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

333.8464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.85368 123.3
[M+Na]+ 356.83562 119.3
[M-H]- 332.83912 113.7
[M+NH4]+ 351.88022 134.2
[M+K]+ 372.80956 129.8
[M+H-H2O]+ 316.84366 112.0
[M+HCOO]- 378.84460 135.9
[M+CH3COO]- 392.86025 195.1
[M+Na-2H]- 354.82107 112.7
[M]+ 333.84585 119.7
[M]- 333.84695 119.7
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