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 173.7
[M+Na]+ 366.93176 179.7
[M-H]- 342.93526 179.2
[M+NH4]+ 361.97636 186.0
[M+K]+ 382.90570 166.4
[M+H-H2O]+ 326.93980 176.9
[M+HCOO]- 388.94074 184.6
[M+CH3COO]- 402.95639 196.5
[M+Na-2H]- 364.91721 177.3
[M]+ 343.94199 175.0
[M]- 343.94309 175.0
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.