CID 257520

3,3,6,6-tetrachloro-2,5-bis(4-methylphenyl)-1,4,2,5-dithiadiazinane

Structural Information

Molecular Formula
C16H14Cl4N2S2
SMILES
CC1=CC=C(C=C1)N2C(SN(C(S2)(Cl)Cl)C3=CC=C(C=C3)C)(Cl)Cl
InChI
InChI=1S/C16H14Cl4N2S2/c1-11-3-7-13(8-4-11)21-15(17,18)24-22(16(19,20)23-21)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
UUILSIQOYGCVPZ-UHFFFAOYSA-N
Compound name
3,3,6,6-tetrachloro-2,5-bis(4-methylphenyl)-1,4,2,5-dithiadiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.93524 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.94252 176.5
[M+Na]+ 460.92446 185.8
[M-H]- 436.92796 180.3
[M+NH4]+ 455.96906 189.4
[M+K]+ 476.89840 179.3
[M+H-H2O]+ 420.93250 171.4
[M+HCOO]- 482.93344 165.4
[M+CH3COO]- 496.94909 184.2
[M+Na-2H]- 458.90991 175.6
[M]+ 437.93469 178.1
[M]- 437.93579 178.1
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

patents stripe