CID 366890

Nsc635932

Structural Information

Molecular Formula
C15H6Cl2O5S
SMILES
C1=CSC(=C1)C(=O)C2=C(C(=C3C(=C2)C(=O)C=C(O3)C(=O)O)Cl)Cl
InChI
InChI=1S/C15H6Cl2O5S/c16-11-7(13(19)10-2-1-3-23-10)4-6-8(18)5-9(15(20)21)22-14(6)12(11)17/h1-5H,(H,20,21)
InChIKey
MTKHEIAZUOLSNV-UHFFFAOYSA-N
Compound name
7,8-dichloro-4-oxo-6-(thiophene-2-carbonyl)chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.9313 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.93858 173.7
[M+Na]+ 390.92052 187.0
[M-H]- 366.92402 182.6
[M+NH4]+ 385.96512 189.5
[M+K]+ 406.89446 181.9
[M+H-H2O]+ 350.92856 170.3
[M+HCOO]- 412.92950 182.5
[M+CH3COO]- 426.94515 186.6
[M+Na-2H]- 388.90597 174.3
[M]+ 367.93075 184.8
[M]- 367.93185 184.8
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.