CID 46537

2,2-bis(trifluoromethyl)-4-methylimidazolidine hydrate

Structural Information

Molecular Formula
C6H8F6N2
SMILES
CC1CNC(N1)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H8F6N2/c1-3-2-13-4(14-3,5(7,8)9)6(10,11)12/h3,13-14H,2H2,1H3
InChIKey
UTKGXMVAAAGWSJ-UHFFFAOYSA-N
Compound name
4-methyl-2,2-bis(trifluoromethyl)imidazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.05917 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06645 140.3
[M+Na]+ 245.04839 149.0
[M-H]- 221.05189 131.1
[M+NH4]+ 240.09299 158.3
[M+K]+ 261.02233 145.3
[M+H-H2O]+ 205.05643 131.0
[M+HCOO]- 267.05737 148.5
[M+CH3COO]- 281.07302 180.6
[M+Na-2H]- 243.03384 143.4
[M]+ 222.05862 126.3
[M]- 222.05972 126.3
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

No patent data available for this compound.