CID 389883

(s)-(+)-1,1'-bi-2-naphthol bis(trifluoromethanesulfonate)

Structural Information

Molecular Formula
C22H12F6O6S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C22H12F6O6S2/c23-21(24,25)35(29,30)33-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)34-36(31,32)22(26,27)28/h1-12H
InChIKey
OYJLCOSEYYZULE-UHFFFAOYSA-N
Compound name
[1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

218
Patents

549.9979 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.00518 220.1
[M+Na]+ 572.98712 230.3
[M-H]- 548.99062 220.2
[M+NH4]+ 568.03172 226.7
[M+K]+ 588.96106 223.9
[M+H-H2O]+ 532.99516 206.9
[M+HCOO]- 594.99610 221.6
[M+CH3COO]- 609.01175 239.0
[M+Na-2H]- 570.97257 227.9
[M]+ 549.99735 222.2
[M]- 549.99845 222.2
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

patents stripe