CID 6073638

2181-98-8

Structural Information

Molecular Formula
C23H22O2P
SMILES
COC(=O)/C=C/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H22O2P/c1-25-23(24)18-11-19-26(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-18H,19H2,1H3/q+1/b18-11+
InChIKey
ZXBTZXOFZBTFSO-WOJGMQOQSA-N
Compound name
[(E)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

361.13574 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14302 195.9
[M+Na]+ 384.12496 199.2
[M-H]- 360.12846 203.3
[M+NH4]+ 379.16956 207.2
[M+K]+ 400.09890 188.2
[M+H-H2O]+ 344.13300 186.3
[M+HCOO]- 406.13394 220.8
[M+CH3COO]- 420.14959 207.2
[M+Na-2H]- 382.11041 198.6
[M]+ 361.13519 194.7
[M]- 361.13629 194.7
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

patents stripe