CID 3056348

73713-83-4

Structural Information

Molecular Formula
C13H10NPS2
SMILES
C1=CC=C(C=C1)P2(=S)N=CC3=CC=CC=C3S2
InChI
InChI=1S/C13H10NPS2/c16-15(12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)17-15/h1-10H
InChIKey
JDXYRORFFQDVQD-UHFFFAOYSA-N
Compound name
2-phenyl-2-sulfanylidene-1,3,2lambda5-benzothiazaphosphinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.99924 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.006516 148.3
[M+Na]+ 297.988458 157.9
[M-H]- 273.991964 153.2
[M+NH4]+ 293.033063 167.2
[M+K]+ 313.962398 151.6
[M+H-H2O]+ 257.996500 138.8
[M+HCOO]- 319.997441 165.8
[M+CH3COO]- 334.013091 160.4
[M+Na-2H]- 295.973906 151.2
[M]+ 274.99869142 148.7
[M]- 274.99978858 148.7
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.