CID 106210

67952-45-8

Structural Information

Molecular Formula
C16H20O6S2
SMILES
CC(C)C1=C2C(=CC=C(C2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)C(C)C
InChI
InChI=1S/C16H20O6S2/c1-9(2)11-5-7-13(23(17,18)19)16-14(24(20,21)22)8-6-12(10(3)4)15(11)16/h5-10H,1-4H3,(H,17,18,19)(H,20,21,22)
InChIKey
ARDFOECTIBQTGG-UHFFFAOYSA-N
Compound name
4,5-di(propan-2-yl)naphthalene-1,8-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.07013 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07741 178.6
[M+Na]+ 395.05935 185.6
[M-H]- 371.06285 179.8
[M+NH4]+ 390.10395 190.9
[M+K]+ 411.03329 181.1
[M+H-H2O]+ 355.06739 173.4
[M+HCOO]- 417.06833 183.4
[M+CH3COO]- 431.08398 210.1
[M+Na-2H]- 393.04480 180.5
[M]+ 372.06958 184.2
[M]- 372.07068 184.2
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