CID 71308785

177966-56-2

Structural Information

Molecular Formula
C20H20FNO9
SMILES
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)F)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C20H20FNO9/c1-9(23)28-8-14-16(29-10(2)24)17(30-11(3)25)15(18(21)31-14)22-19(26)12-6-4-5-7-13(12)20(22)27/h4-7,14-18H,8H2,1-3H3/t14-,15-,16+,17-,18+/m1/s1
InChIKey
YRVBOYANNCZRHU-SFFUCWETSA-N
Compound name
[(2R,3R,4R,5R,6R)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-fluorooxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1122 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.11948 192.7
[M+Na]+ 460.10142 199.3
[M-H]- 436.10492 198.4
[M+NH4]+ 455.14602 202.1
[M+K]+ 476.07536 199.7
[M+H-H2O]+ 420.10946 184.9
[M+HCOO]- 482.11040 205.9
[M+CH3COO]- 496.12605 230.1
[M+Na-2H]- 458.08687 188.1
[M]+ 437.11165 198.1
[M]- 437.11275 198.1
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.