CID 4175114

Triphenyl(2-thienylmethyl)phosphonium bromide

Structural Information

Molecular Formula
C23H20PS
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=CS2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H20PS/c1-4-11-20(12-5-1)24(19-23-17-10-18-25-23,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-18H,19H2/q+1
InChIKey
REYBFABFRQJQAI-UHFFFAOYSA-N
Compound name
triphenyl(thiophen-2-ylmethyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

359.10233 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10961 188.4
[M+Na]+ 382.09155 193.7
[M-H]- 358.09505 199.7
[M+NH4]+ 377.13615 202.4
[M+K]+ 398.06549 181.6
[M+H-H2O]+ 342.09959 179.6
[M+HCOO]- 404.10053 211.5
[M+CH3COO]- 418.11618 205.7
[M+Na-2H]- 380.07700 189.4
[M]+ 359.10178 186.8
[M]- 359.10288 186.8
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