CID 366796

Nsc635568

Structural Information

Molecular Formula
C21H18N2PS
SMILES
C1=CC=C(C=C1)[P+](CC2=CSN=N2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N2PS/c1-4-10-19(11-5-1)24(16-18-17-25-23-22-18,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17H,16H2/q+1
InChIKey
SWDAVLFDDCMAGE-UHFFFAOYSA-N
Compound name
triphenyl(thiadiazol-4-ylmethyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.09283 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10011 184.7
[M+Na]+ 384.08205 190.6
[M-H]- 360.08555 193.6
[M+NH4]+ 379.12665 195.9
[M+K]+ 400.05599 178.6
[M+H-H2O]+ 344.09009 174.4
[M+HCOO]- 406.09103 205.9
[M+CH3COO]- 420.10668 204.9
[M+Na-2H]- 382.06750 187.0
[M]+ 361.09228 183.0
[M]- 361.09338 183.0
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.