CID 117205482

3-(2,2,2-trifluoroethyl)-2,5-dihydro-1h-pyrrole hydrochloride

Structural Information

Molecular Formula
C6H8F3N
SMILES
C1C=C(CN1)CC(F)(F)F
InChI
InChI=1S/C6H8F3N/c7-6(8,9)3-5-1-2-10-4-5/h1,10H,2-4H2
InChIKey
IHPPUGZXHTYBQR-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

151.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06816 126.9
[M+Na]+ 174.05010 134.6
[M-H]- 150.05360 123.7
[M+NH4]+ 169.09470 147.7
[M+K]+ 190.02404 132.2
[M+H-H2O]+ 134.05814 119.1
[M+HCOO]- 196.05908 144.1
[M+CH3COO]- 210.07473 170.8
[M+Na-2H]- 172.03555 131.8
[M]+ 151.06033 119.4
[M]- 151.06143 119.4
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

patents stripe