CID 137698823

Ethyl 3-fluoro-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C9H13F4NO2
SMILES
CCOC(=O)C1(CNCC1(C)C(F)(F)F)F
InChI
InChI=1S/C9H13F4NO2/c1-3-16-6(15)8(10)5-14-4-7(8,2)9(11,12)13/h14H,3-5H2,1-2H3
InChIKey
BNEDUBQKGUCOIP-UHFFFAOYSA-N
Compound name
ethyl 3-fluoro-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09552 146.8
[M+Na]+ 266.07746 155.2
[M-H]- 242.08096 142.7
[M+NH4]+ 261.12206 168.0
[M+K]+ 282.05140 153.1
[M+H-H2O]+ 226.08550 140.1
[M+HCOO]- 288.08644 160.3
[M+CH3COO]- 302.10209 186.7
[M+Na-2H]- 264.06291 149.8
[M]+ 243.08769 140.4
[M]- 243.08879 140.4
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

No patent data available for this compound.