CID 11046973

(2s)-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-4,4-difluoropyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C20H17F2NO4
SMILES
C1[C@H](N(CC1(F)F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C20H17F2NO4/c21-20(22)9-17(18(24)25)23(11-20)19(26)27-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,24,25)/t17-/m0/s1
InChIKey
QLKUZDLPWHCYAO-KRWDZBQOSA-N
Compound name
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

373.11258 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11986 185.6
[M+Na]+ 396.10180 193.9
[M-H]- 372.10530 189.5
[M+NH4]+ 391.14640 203.1
[M+K]+ 412.07574 188.7
[M+H-H2O]+ 356.10984 177.4
[M+HCOO]- 418.11078 200.3
[M+CH3COO]- 432.12643 212.8
[M+Na-2H]- 394.08725 183.7
[M]+ 373.11203 184.6
[M]- 373.11313 184.6
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

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