CID 66702672

3-(trifluoromethoxy)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C5H8F3NO
SMILES
C1CNCC1OC(F)(F)F
InChI
InChI=1S/C5H8F3NO/c6-5(7,8)10-4-1-2-9-3-4/h4,9H,1-3H2
InChIKey
LMXDVHWGZYGKNK-UHFFFAOYSA-N
Compound name
3-(trifluoromethoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

155.0558 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.063076 127.6
[M+Na]+ 178.045018 134.6
[M-H]- 154.048524 124.1
[M+NH4]+ 173.089623 148.0
[M+K]+ 194.018958 133.1
[M+H-H2O]+ 138.053060 119.7
[M+HCOO]- 200.054001 143.8
[M+CH3COO]- 214.069651 170.1
[M+Na-2H]- 176.030466 131.9
[M]+ 155.05525142 119.7
[M]- 155.05634858 119.7
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