CID 365375

Nsc632983

Structural Information

Molecular Formula
C14H6Cl2O2S
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)C3=CC=C(S3)Cl
InChI
InChI=1S/C14H6Cl2O2S/c15-10-6-5-9(19-10)11-12(16)14(18)8-4-2-1-3-7(8)13(11)17/h1-6H
InChIKey
ZBMGMLRXIZSLHN-UHFFFAOYSA-N
Compound name
2-chloro-3-(5-chlorothiophen-2-yl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.94656 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.95384 164.5
[M+Na]+ 330.93578 177.8
[M-H]- 306.93928 173.1
[M+NH4]+ 325.98038 184.9
[M+K]+ 346.90972 170.5
[M+H-H2O]+ 290.94382 160.7
[M+HCOO]- 352.94476 174.2
[M+CH3COO]- 366.96041 177.9
[M+Na-2H]- 328.92123 164.6
[M]+ 307.94601 171.0
[M]- 307.94711 171.0
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.