CID 10917683

20875-34-7

Structural Information

Molecular Formula
C30H46S2
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)SSC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C30H46S2/c1-17(2)23-13-25(19(5)6)29(26(14-23)20(7)8)31-32-30-27(21(9)10)15-24(18(3)4)16-28(30)22(11)12/h13-22H,1-12H3
InChIKey
ZLOCUDMSUFOLGX-UHFFFAOYSA-N
Compound name
1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

470.3041 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.31138 207.8
[M+Na]+ 493.29332 210.4
[M-H]- 469.29682 212.8
[M+NH4]+ 488.33792 217.5
[M+K]+ 509.26726 204.5
[M+H-H2O]+ 453.30136 199.9
[M+HCOO]- 515.30230 209.6
[M+CH3COO]- 529.31795 248.2
[M+Na-2H]- 491.27877 195.0
[M]+ 470.30355 214.5
[M]- 470.30465 214.5
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