CID 10956836

(2,4,6-tri-tert-butylphenyl)phosphine

Structural Information

Molecular Formula
C18H31P
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)P)C(C)(C)C
InChI
InChI=1S/C18H31P/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3
InChIKey
KKBLXTRANCKMAQ-UHFFFAOYSA-N
Compound name
(2,4,6-tritert-butylphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

278.21634 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.22362 173.6
[M+Na]+ 301.20556 181.2
[M-H]- 277.20906 176.7
[M+NH4]+ 296.25016 192.0
[M+K]+ 317.17950 178.6
[M+H-H2O]+ 261.21360 166.8
[M+HCOO]- 323.21454 195.6
[M+CH3COO]- 337.23019 208.5
[M+Na-2H]- 299.19101 174.2
[M]+ 278.21579 177.8
[M]- 278.21689 177.8
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