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

27
Patents

151.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.068156 126.9
[M+Na]+ 174.050098 134.6
[M-H]- 150.053604 123.7
[M+NH4]+ 169.094703 147.7
[M+K]+ 190.024038 132.2
[M+H-H2O]+ 134.058140 119.1
[M+HCOO]- 196.059081 144.1
[M+CH3COO]- 210.074731 170.8
[M+Na-2H]- 172.035546 131.8
[M]+ 151.06033142 119.4
[M]- 151.06142858 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