CID 337059

76958-87-7

Structural Information

Molecular Formula
C12H10N3PS2
SMILES
C1=CC=C(C=C1)P2(=NSN=S=N2)C3=CC=CC=C3
InChI
InChI=1S/C12H10N3PS2/c1-3-7-11(8-4-1)16(13-17-15-18-14-16)12-9-5-2-6-10-12/h1-10H
InChIKey
IALGZRLAAUEWQC-UHFFFAOYSA-N
Compound name
5,5-diphenyl-1lambda4,3-dithia-2,4,6-triaza-5lambda5-phosphacyclohexa-1,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.00537 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.01265 150.3
[M+Na]+ 313.99459 160.5
[M-H]- 289.99809 155.0
[M+NH4]+ 309.03919 164.5
[M+K]+ 329.96853 154.1
[M+H-H2O]+ 274.00263 139.0
[M+HCOO]- 336.00357 168.4
[M+CH3COO]- 350.01922 161.9
[M+Na-2H]- 311.98004 154.2
[M]+ 291.00482 150.9
[M]- 291.00592 150.9
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.