CID 392841

Nsc693853

Structural Information

Molecular Formula
C30H31OP
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)C=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H31OP/c31-29(30-19-23-16-24(20-30)18-25(17-23)21-30)22-32(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,22-25H,16-21H2
InChIKey
WQTBBVKWMRCLSL-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-(triphenyl-lambda5-phosphanylidene)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

438.21124 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.21852 204.7
[M+Na]+ 461.20046 201.9
[M-H]- 437.20396 205.6
[M+NH4]+ 456.24506 218.9
[M+K]+ 477.17440 194.8
[M+H-H2O]+ 421.20850 188.7
[M+HCOO]- 483.20944 212.0
[M+CH3COO]- 497.22509 207.9
[M+Na-2H]- 459.18591 207.7
[M]+ 438.21069 200.2
[M]- 438.21179 200.2
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