CID 54594090

3,3-bis(trifluoromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C6H7F6N
SMILES
C1CNCC1(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H7F6N/c7-5(8,9)4(6(10,11)12)1-2-13-3-4/h13H,1-3H2
InChIKey
PCGOJRWTDVMESO-UHFFFAOYSA-N
Compound name
3,3-bis(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.04826 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05554 159.5
[M+Na]+ 230.03748 162.4
[M+NH4]+ 225.08208 162.6
[M+K]+ 246.01142 159.0
[M-H]- 206.04098 151.7
[M+Na-2H]- 228.02293 159.5
[M]+ 207.04771 157.3
[M]- 207.04881 157.3
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