CID 105597

Naphthalenesulfonic acid, tert-dodecyl-

Structural Information

Molecular Formula
C22H32O3S
SMILES
CCCCCCCCCC(C)(C)C1=CC=CC2=C1C(=CC=C2)S(=O)(=O)O
InChI
InChI=1S/C22H32O3S/c1-4-5-6-7-8-9-10-17-22(2,3)19-15-11-13-18-14-12-16-20(21(18)19)26(23,24)25/h11-16H,4-10,17H2,1-3H3,(H,23,24,25)
InChIKey
DZRAYJKTHLFOOU-UHFFFAOYSA-N
Compound name
8-(2-methylundecan-2-yl)naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.2072 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21448 193.5
[M+Na]+ 399.19642 198.8
[M-H]- 375.19992 195.4
[M+NH4]+ 394.24102 206.7
[M+K]+ 415.17036 193.0
[M+H-H2O]+ 359.20446 186.6
[M+HCOO]- 421.20540 204.7
[M+CH3COO]- 435.22105 216.5
[M+Na-2H]- 397.18187 195.6
[M]+ 376.20665 199.8
[M]- 376.20775 199.8
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.