CID 6332073

Nsc37687

Structural Information

Molecular Formula
C25H26O2P
SMILES
C/C(=C\COC(=O)C)/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H26O2P/c1-21(18-19-27-22(2)26)20-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-18H,19-20H2,1-2H3/q+1/b21-18+
InChIKey
HENZVFSQGGSUKH-DYTRJAOYSA-N
Compound name
[(E)-4-acetyloxy-2-methylbut-2-enyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16705 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17433 204.6
[M+Na]+ 412.15627 206.8
[M-H]- 388.15977 211.7
[M+NH4]+ 407.20087 214.7
[M+K]+ 428.13021 195.9
[M+H-H2O]+ 372.16431 194.8
[M+HCOO]- 434.16525 227.8
[M+CH3COO]- 448.18090 213.7
[M+Na-2H]- 410.14172 205.2
[M]+ 389.16650 203.5
[M]- 389.16760 203.5
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.