CID 2734937

255837-19-5

Structural Information

Molecular Formula
C21H29P
SMILES
CC1=CC=CC=C1C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C21H29P/c1-16-12-8-9-13-17(16)18-14-10-11-15-19(18)22(20(2,3)4)21(5,6)7/h8-15H,1-7H3
InChIKey
UJONYAVMBYXBJQ-UHFFFAOYSA-N
Compound name
ditert-butyl-[2-(2-methylphenyl)phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1130
Patents

312.20068 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.20796 182.3
[M+Na]+ 335.18990 188.0
[M-H]- 311.19340 187.7
[M+NH4]+ 330.23450 198.1
[M+K]+ 351.16384 184.0
[M+H-H2O]+ 295.19794 173.0
[M+HCOO]- 357.19888 205.2
[M+CH3COO]- 371.21453 212.7
[M+Na-2H]- 333.17535 181.5
[M]+ 312.20013 184.2
[M]- 312.20123 184.2
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