CID 132398842

1-(difluoromethyl)-5-iodo-1h-imidazole

Structural Information

Molecular Formula
C4H3F2IN2
SMILES
C1=C(N(C=N1)C(F)F)I
InChI
InChI=1S/C4H3F2IN2/c5-4(6)9-2-8-1-3(9)7/h1-2,4H
InChIKey
HAAZRJUAKQAWDC-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-5-iodoimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.9309 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.93818 123.0
[M+Na]+ 266.92012 126.0
[M-H]- 242.92362 115.2
[M+NH4]+ 261.96472 139.1
[M+K]+ 282.89406 130.6
[M+H-H2O]+ 226.92816 111.6
[M+HCOO]- 288.92910 139.3
[M+CH3COO]- 302.94475 181.2
[M+Na-2H]- 264.90557 116.7
[M]+ 243.93035 118.3
[M]- 243.93145 118.3
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