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

35
Patents

137.04523 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.052506 122.2
[M+Na]+ 160.034448 130.4
[M-H]- 136.037954 119.2
[M+NH4]+ 155.079053 143.6
[M+K]+ 176.008388 128.2
[M+H-H2O]+ 120.042490 114.6
[M+HCOO]- 182.043431 139.8
[M+CH3COO]- 196.059081 167.7
[M+Na-2H]- 158.019896 127.6
[M]+ 137.04468142 114.4
[M]- 137.04577858 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