CID 498998

Nsc645870

Structural Information

Molecular Formula
C24H24P
SMILES
CC(C)(C)C#C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H24P/c1-24(2,3)19-20-25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H,1-3H3/q+1
InChIKey
GYRWEOYPEZPAAG-UHFFFAOYSA-N
Compound name
3,3-dimethylbut-1-ynyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.16156 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16884 199.7
[M+Na]+ 366.15078 207.1
[M-H]- 342.15428 204.3
[M+NH4]+ 361.19538 210.6
[M+K]+ 382.12472 192.5
[M+H-H2O]+ 326.15882 185.3
[M+HCOO]- 388.15976 217.0
[M+CH3COO]- 402.17541 211.8
[M+Na-2H]- 364.13623 201.9
[M]+ 343.16101 191.7
[M]- 343.16211 191.7
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

No patent data available for this compound.