CID 363003

Nsc627542

Structural Information

Molecular Formula
C16H10O3S
SMILES
C1C2=CC3=C(C=C2CS1=O)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C16H10O3S/c17-15-11-3-1-2-4-12(11)16(18)14-6-10-8-20(19)7-9(10)5-13(14)15/h1-6H,7-8H2
InChIKey
NHWRZAVVCMOKNF-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydronaphtho[3,2-f][2]benzothiole-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.03506 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04234 158.3
[M+Na]+ 305.02428 170.0
[M-H]- 281.02778 165.5
[M+NH4]+ 300.06888 180.2
[M+K]+ 320.99822 164.4
[M+H-H2O]+ 265.03232 153.3
[M+HCOO]- 327.03326 174.0
[M+CH3COO]- 341.04891 171.6
[M+Na-2H]- 303.00973 162.0
[M]+ 282.03451 161.9
[M]- 282.03561 161.9
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.