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 183.1
[M+Na]+ 395.05935 191.9
[M+NH4]+ 390.10395 187.8
[M+K]+ 411.03329 186.2
[M-H]- 371.06285 181.0
[M+Na-2H]- 393.04480 184.6
[M]+ 372.06958 184.6
[M]- 372.07068 184.6
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