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 136.1
[M+Na]+ 230.03748 144.3
[M-H]- 206.04098 129.3
[M+NH4]+ 225.08208 156.3
[M+K]+ 246.01142 141.5
[M+H-H2O]+ 190.04552 127.1
[M+HCOO]- 252.04646 147.0
[M+CH3COO]- 266.06211 179.4
[M+Na-2H]- 228.02293 140.3
[M]+ 207.04771 122.9
[M]- 207.04881 122.9
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