CID 118805

Nonylbenzenesulfonic acid

Structural Information

Molecular Formula
C15H24O3S
SMILES
CCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C15H24O3S/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)19(16,17)18/h10-13H,2-9H2,1H3,(H,16,17,18)
InChIKey
WPTFZDRBJGXAMT-UHFFFAOYSA-N
Compound name
4-nonylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1249
Patents

284.14462 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15190 166.9
[M+Na]+ 307.13384 172.9
[M-H]- 283.13734 168.5
[M+NH4]+ 302.17844 182.7
[M+K]+ 323.10778 168.3
[M+H-H2O]+ 267.14188 160.5
[M+HCOO]- 329.14282 182.1
[M+CH3COO]- 343.15847 196.5
[M+Na-2H]- 305.11929 168.4
[M]+ 284.14407 172.0
[M]- 284.14517 172.0
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