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

75
Patents

155.0558 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06308 127.6
[M+Na]+ 178.04502 134.6
[M-H]- 154.04852 124.1
[M+NH4]+ 173.08962 148.0
[M+K]+ 194.01896 133.1
[M+H-H2O]+ 138.05306 119.7
[M+HCOO]- 200.05400 143.8
[M+CH3COO]- 214.06965 170.1
[M+Na-2H]- 176.03047 131.9
[M]+ 155.05525 119.7
[M]- 155.05635 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