CID 1268237

369402-96-0

Structural Information

Molecular Formula
C21H21NO6S
SMILES
C1CS(=O)(=O)CCC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO6S/c23-19(24)21(9-11-29(26,27)12-10-21)22-20(25)28-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,25)(H,23,24)
InChIKey
BZCDXKNKTDBVSF-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

415.10895 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11623 191.3
[M+Na]+ 438.09817 200.0
[M+NH4]+ 433.14277 200.2
[M+K]+ 454.07211 191.1
[M-H]- 414.10167 193.2
[M+Na-2H]- 436.08362 197.6
[M]+ 415.10840 193.5
[M]- 415.10950 193.5
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

patents stripe