CID 154814524

2,4,5-tribromo-1-(difluoromethyl)-1h-imidazole

Structural Information

Molecular Formula
C4HBr3F2N2
SMILES
C1(=C(N(C(=N1)Br)C(F)F)Br)Br
InChI
InChI=1S/C4HBr3F2N2/c5-1-2(6)11(4(8)9)3(7)10-1/h4H
InChIKey
VXYWJMIHCRGSIB-UHFFFAOYSA-N
Compound name
2,4,5-tribromo-1-(difluoromethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.76578 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.77306 137.4
[M+Na]+ 374.75500 147.6
[M-H]- 350.75850 140.9
[M+NH4]+ 369.79960 152.5
[M+K]+ 390.72894 132.5
[M+H-H2O]+ 334.76304 151.5
[M+HCOO]- 396.76398 146.7
[M+CH3COO]- 410.77963 219.2
[M+Na-2H]- 372.74045 141.8
[M]+ 351.76523 177.0
[M]- 351.76633 177.0
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.