CID 44763

63766-35-8

Structural Information

Molecular Formula
C20H14O4S5
SMILES
C1=CC2=C(C=C(C=C2)S(=O)O)C(=C1)SSSC3=CC=CC4=C3C=C(C=C4)S(=O)O
InChI
InChI=1S/C20H14O4S5/c21-28(22)15-9-7-13-3-1-5-19(17(13)11-15)25-27-26-20-6-2-4-14-8-10-16(29(23)24)12-18(14)20/h1-12H,(H,21,22)(H,23,24)
InChIKey
ROAWAHCETRUTNH-UHFFFAOYSA-N
Compound name
8-[(7-sulfinonaphthalen-1-yl)trisulfanyl]naphthalene-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.94955 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.95683 197.9
[M+Na]+ 500.93877 204.8
[M-H]- 476.94227 197.7
[M+NH4]+ 495.98337 205.0
[M+K]+ 516.91271 191.7
[M+H-H2O]+ 460.94681 192.6
[M+HCOO]- 522.94775 190.3
[M+CH3COO]- 536.96340 201.9
[M+Na-2H]- 498.92422 205.5
[M]+ 477.94900 196.4
[M]- 477.95010 196.4
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.