CID 64145707

1-(2,2,2-trifluoroethyl)-1h-imidazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C5H4ClF3N2O2S
SMILES
C1=C(N=CN1CC(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C5H4ClF3N2O2S/c6-14(12,13)4-1-11(3-10-4)2-5(7,8)9/h1,3H,2H2
InChIKey
ADPYJZIMKJKNGI-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)imidazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96341 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97069 142.1
[M+Na]+ 270.95263 154.1
[M-H]- 246.95613 140.4
[M+NH4]+ 265.99723 160.1
[M+K]+ 286.92657 150.1
[M+H-H2O]+ 230.96067 134.6
[M+HCOO]- 292.96161 150.8
[M+CH3COO]- 306.97726 184.2
[M+Na-2H]- 268.93808 145.3
[M]+ 247.96286 143.4
[M]- 247.96396 143.4
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.