CID 9939135

3,3,4,4-tetrafluoropyrrolidine

Structural Information

Molecular Formula
C4H5F4N
SMILES
C1C(C(CN1)(F)F)(F)F
InChI
InChI=1S/C4H5F4N/c5-3(6)1-9-2-4(3,7)8/h9H,1-2H2
InChIKey
AJTIPWWYVBZBRI-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluoropyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

589
Patents

143.03581 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04309 118.7
[M+Na]+ 166.02503 128.5
[M-H]- 142.02853 115.0
[M+NH4]+ 161.06963 143.7
[M+K]+ 181.99897 126.4
[M+H-H2O]+ 126.03307 111.7
[M+HCOO]- 188.03401 135.7
[M+CH3COO]- 202.04966 168.9
[M+Na-2H]- 164.01048 124.2
[M]+ 143.03526 109.5
[M]- 143.03636 109.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe