CID 6454313

61931-70-2

Structural Information

Molecular Formula
C16H12O6S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC=CC=C32)S(=O)(=O)O
InChI
InChI=1S/C16H12O6S2/c17-23(18,19)14-10-12-6-4-5-9-15(12)16(11-14)22-24(20,21)13-7-2-1-3-8-13/h1-11H,(H,17,18,19)
InChIKey
FZPJHVKPROLAQF-UHFFFAOYSA-N
Compound name
4-(benzenesulfonyloxy)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.00754 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.01482 179.7
[M+Na]+ 386.99676 188.4
[M-H]- 363.00026 185.7
[M+NH4]+ 382.04136 192.4
[M+K]+ 402.97070 183.0
[M+H-H2O]+ 347.00480 173.0
[M+HCOO]- 409.00574 190.1
[M+CH3COO]- 423.02139 204.4
[M+Na-2H]- 384.98221 187.0
[M]+ 364.00699 184.9
[M]- 364.00809 184.9
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

patents stripe