CID 68685876

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

Structural Information

Molecular Formula
C5H6F3N
SMILES
C1C=C(CN1)C(F)(F)F
InChI
InChI=1S/C5H6F3N/c6-5(7,8)4-1-2-9-3-4/h1,9H,2-3H2
InChIKey
YQJHVAUSHQYZPL-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

137.04523 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05251 122.2
[M+Na]+ 160.03445 130.4
[M-H]- 136.03795 119.2
[M+NH4]+ 155.07905 143.6
[M+K]+ 176.00839 128.2
[M+H-H2O]+ 120.04249 114.6
[M+HCOO]- 182.04343 139.8
[M+CH3COO]- 196.05908 167.7
[M+Na-2H]- 158.01990 127.6
[M]+ 137.04468 114.4
[M]- 137.04578 114.4
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