CID 132398724

2-(chloromethyl)-4-(trifluoromethyl)-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C5H4ClF3N2
SMILES
C1=C(NC(=N1)CCl)C(F)(F)F
InChI
InChI=1S/C5H4ClF3N2/c6-1-4-10-2-3(11-4)5(7,8)9/h2H,1H2,(H,10,11)
InChIKey
ZVCXCSZUYLBDGC-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(trifluoromethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.00151 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00879 129.4
[M+Na]+ 206.99073 140.2
[M-H]- 182.99423 125.4
[M+NH4]+ 202.03533 148.7
[M+K]+ 222.96467 135.7
[M+H-H2O]+ 166.99877 121.4
[M+HCOO]- 228.99971 142.4
[M+CH3COO]- 243.01536 175.1
[M+Na-2H]- 204.97618 134.6
[M]+ 184.00096 125.7
[M]- 184.00206 125.7
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.