CID 11812054

1,2,4,5-tetrakis(tert-butylthio)benzene

Structural Information

Molecular Formula
C22H38S4
SMILES
CC(C)(C)SC1=CC(=C(C=C1SC(C)(C)C)SC(C)(C)C)SC(C)(C)C
InChI
InChI=1S/C22H38S4/c1-19(2,3)23-15-13-17(25-21(7,8)9)18(26-22(10,11)12)14-16(15)24-20(4,5)6/h13-14H,1-12H3
InChIKey
LOCUYYPERSWXJI-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrakis(tert-butylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

430.18564 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.19292 197.9
[M+Na]+ 453.17486 201.9
[M-H]- 429.17836 197.5
[M+NH4]+ 448.21946 208.4
[M+K]+ 469.14880 192.5
[M+H-H2O]+ 413.18290 190.2
[M+HCOO]- 475.18384 190.3
[M+CH3COO]- 489.19949 229.6
[M+Na-2H]- 451.16031 196.5
[M]+ 430.18509 199.9
[M]- 430.18619 199.9
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