CID 46843

64048-98-2

Structural Information

Molecular Formula
C27H51As
SMILES
CC1CC(CC(C1)(C)C)[As](C2CC(CC(C2)(C)C)C)C3CC(CC(C3)(C)C)C
InChI
InChI=1S/C27H51As/c1-19-10-22(16-25(4,5)13-19)28(23-11-20(2)14-26(6,7)17-23)24-12-21(3)15-27(8,9)18-24/h19-24H,10-18H2,1-9H3
InChIKey
HLOMHEUCTNFDKS-UHFFFAOYSA-N
Compound name
tris(3,3,5-trimethylcyclohexyl)arsane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.32068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.32796 208.0
[M+Na]+ 473.30990 208.7
[M-H]- 449.31340 214.5
[M+NH4]+ 468.35450 225.1
[M+K]+ 489.28384 204.5
[M+H-H2O]+ 433.31794 200.2
[M+HCOO]- 495.31888 214.3
[M+CH3COO]- 509.33453 231.6
[M+Na-2H]- 471.29535 199.6
[M]+ 450.32013 199.1
[M]- 450.32123 199.1
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