CID 4686311

287381-46-8

Structural Information

Molecular Formula
C23H27ClO2
SMILES
CC(C)(C)C1=CC2=C(C=C1)C3=C(C2COC(=O)Cl)C=C(C=C3)C(C)(C)C
InChI
InChI=1S/C23H27ClO2/c1-22(2,3)14-7-9-16-17-10-8-15(23(4,5)6)12-19(17)20(18(16)11-14)13-26-21(24)25/h7-12,20H,13H2,1-6H3
InChIKey
PHUMWWRUIGKGNN-UHFFFAOYSA-N
Compound name
(2,7-ditert-butyl-9H-fluoren-9-yl)methyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

370.16995 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17723 190.8
[M+Na]+ 393.15917 204.2
[M+NH4]+ 388.20377 199.4
[M+K]+ 409.13311 198.2
[M-H]- 369.16267 192.8
[M+Na-2H]- 391.14462 194.8
[M]+ 370.16940 193.9
[M]- 370.17050 193.9
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