CID 49787

2-trifluoromethylimidazolidine hemihydrate

Structural Information

Molecular Formula
C4H7F3N2
SMILES
C1CNC(N1)C(F)(F)F
InChI
InChI=1S/C4H7F3N2/c5-4(6,7)3-8-1-2-9-3/h3,8-9H,1-2H2
InChIKey
DDAMMZKSIIBCBP-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)imidazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

140.05614 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06342 125.0
[M+Na]+ 163.04536 132.1
[M-H]- 139.04886 118.9
[M+NH4]+ 158.08996 144.0
[M+K]+ 179.01930 129.4
[M+H-H2O]+ 123.05340 116.7
[M+HCOO]- 185.05434 138.5
[M+CH3COO]- 199.06999 165.2
[M+Na-2H]- 161.03081 129.2
[M]+ 140.05559 114.0
[M]- 140.05669 114.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe