CID 165605372

2349898-12-8

Structural Information

Molecular Formula
C20H19F2NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCC(F)F)C(=O)O
InChI
InChI=1S/C20H19F2NO4/c21-18(22)10-9-17(19(24)25)23-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-18H,9-11H2,(H,23,26)(H,24,25)/t17-/m0/s1
InChIKey
UROOLSPCRUFBPT-KRWDZBQOSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5-difluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1282 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13548 186.4
[M+Na]+ 398.11742 191.1
[M-H]- 374.12092 187.1
[M+NH4]+ 393.16202 200.6
[M+K]+ 414.09136 187.0
[M+H-H2O]+ 358.12546 177.7
[M+HCOO]- 420.12640 202.0
[M+CH3COO]- 434.14205 218.3
[M+Na-2H]- 396.10287 185.4
[M]+ 375.12765 186.1
[M]- 375.12875 186.1
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.