CID 498163

Phosphonium, (1-methylhexyl)triphenyl-

Structural Information

Molecular Formula
C25H30P
SMILES
CCCCCC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H30P/c1-3-4-8-15-22(2)26(23-16-9-5-10-17-23,24-18-11-6-12-19-24)25-20-13-7-14-21-25/h5-7,9-14,16-22H,3-4,8,15H2,1-2H3/q+1
InChIKey
MMSXRMQYGVEERB-UHFFFAOYSA-N
Compound name
heptan-2-yl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

361.20853 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21581 200.3
[M+Na]+ 384.19775 202.4
[M-H]- 360.20125 207.1
[M+NH4]+ 379.24235 211.8
[M+K]+ 400.17169 190.7
[M+H-H2O]+ 344.20579 190.6
[M+HCOO]- 406.20673 223.7
[M+CH3COO]- 420.22238 212.6
[M+Na-2H]- 382.18320 201.6
[M]+ 361.20798 198.7
[M]- 361.20908 198.7
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