CID 3025046

Nonylphenyl hydrogen sulphate

Structural Information

Molecular Formula
C15H24O4S
SMILES
CCCCCCCCCC1=CC=CC=C1OS(=O)(=O)O
InChI
InChI=1S/C15H24O4S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-20(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H,16,17,18)
InChIKey
ORJDWQVKIMZEMX-UHFFFAOYSA-N
Compound name
(2-nonylphenyl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

429
Patents

300.13953 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.146806 170.1
[M+Na]+ 323.128748 175.9
[M-H]- 299.132254 171.7
[M+NH4]+ 318.173353 185.2
[M+K]+ 339.102688 171.9
[M+H-H2O]+ 283.136790 163.5
[M+HCOO]- 345.137731 185.6
[M+CH3COO]- 359.153381 198.5
[M+Na-2H]- 321.114196 171.8
[M]+ 300.13898142 176.6
[M]- 300.14007858 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe