CID 6367069

55549-35-4

Structural Information

Molecular Formula
C18H21NPS
SMILES
C1CCC(CC1)N[P+](=S)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H21NPS/c21-20(19-17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,19,21)/q+1
InChIKey
RLRGJYDBKKYUHT-UHFFFAOYSA-N
Compound name
(cyclohexylamino)-(4-phenylphenyl)-sulfanylidenephosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.11322 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12050 170.2
[M+Na]+ 337.10244 172.6
[M-H]- 313.10594 177.4
[M+NH4]+ 332.14704 184.1
[M+K]+ 353.07638 161.4
[M+H-H2O]+ 297.11048 161.7
[M+HCOO]- 359.11142 190.4
[M+CH3COO]- 373.12707 200.8
[M+Na-2H]- 335.08789 169.9
[M]+ 314.11267 163.8
[M]- 314.11377 163.8
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

No patent data available for this compound.