CID 88583

20541-49-5

Structural Information

Molecular Formula
C12H8Cl2Se2
SMILES
C1=CC(=CC=C1Cl)[Se][Se]C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H8Cl2Se2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
InChIKey
DVGQWQMPCZYJLR-UHFFFAOYSA-N
Compound name
1-chloro-4-[(4-chlorophenyl)diselanyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

68
Patents

381.83334 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.84062 175.5
[M+Na]+ 404.82256 184.2
[M-H]- 380.82606 180.2
[M+NH4]+ 399.86716 192.8
[M+K]+ 420.79650 176.5
[M+H-H2O]+ 364.83060 168.4
[M+HCOO]- 426.83154 188.7
[M+CH3COO]- 440.84719 197.2
[M+Na-2H]- 402.80801 178.2
[M]+ 381.83279 178.6
[M]- 381.83389 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe