CID 4179939

(5-chloro-2-phenyl-thiazol-4-yl)-triphenyl-phosphonium, perchlorate

Structural Information

Molecular Formula
C27H20ClNPS
SMILES
C1=CC=C(C=C1)C2=NC(=C(S2)Cl)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H20ClNPS/c28-25-26(29-27(31-25)21-13-5-1-6-14-21)30(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
InChIKey
SBVPRRLSYZABSM-UHFFFAOYSA-N
Compound name
(5-chloro-2-phenyl-1,3-thiazol-4-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.07425 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.08153 210.9
[M+Na]+ 479.06347 217.5
[M-H]- 455.06697 223.7
[M+NH4]+ 474.10807 220.1
[M+K]+ 495.03741 203.3
[M+H-H2O]+ 439.07151 200.0
[M+HCOO]- 501.07245 227.5
[M+CH3COO]- 515.08810 219.1
[M+Na-2H]- 477.04892 210.1
[M]+ 456.07370 211.0
[M]- 456.07480 211.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.