CID 3049929

Bis(2-chloro-4-nitrophenyl) sulfide

Structural Information

Molecular Formula
C12H6Cl2N2O4S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)SC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H6Cl2N2O4S/c13-9-5-7(15(17)18)1-3-11(9)21-12-4-2-8(16(19)20)6-10(12)14/h1-6H
InChIKey
VLJCUEJFRMCVAS-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-chloro-4-nitrophenyl)sulfanyl-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.94254 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.94982 171.4
[M+Na]+ 366.93176 187.9
[M+NH4]+ 361.97636 180.0
[M+K]+ 382.90570 182.6
[M-H]- 342.93526 178.0
[M+Na-2H]- 364.91721 179.0
[M]+ 343.94199 176.6
[M]- 343.94309 176.6
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.