CID 97108

73713-80-1

Structural Information

Molecular Formula
C12H9ClNPS2
SMILES
C1=CC=C(C=C1)P2(=S)NC3=C(S2)C=CC(=C3)Cl
InChI
InChI=1S/C12H9ClNPS2/c13-9-6-7-12-11(8-9)14-15(16,17-12)10-4-2-1-3-5-10/h1-8H,(H,14,16)
InChIKey
MEIXQUBZUCFTLE-UHFFFAOYSA-N
Compound name
5-chloro-2-phenyl-2-sulfanylidene-3H-1,3,2lambda5-benzothiazaphosphole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.96027 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.967546 151.2
[M+Na]+ 319.949488 162.6
[M-H]- 295.952994 155.7
[M+NH4]+ 314.994093 171.9
[M+K]+ 335.923428 154.9
[M+H-H2O]+ 279.957530 144.4
[M+HCOO]- 341.958471 164.0
[M+CH3COO]- 355.974121 163.6
[M+Na-2H]- 317.934936 150.8
[M]+ 296.95972142 153.1
[M]- 296.96081858 153.1
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.