CID 5463921

Sodium nonylphenyl ether sulfate

Structural Information

Molecular Formula
C30H46O
SMILES
CCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2CCCCCCCCC
InChI
InChI=1S/C30H46O/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)31-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22H2,1-2H3
InChIKey
BALXAMAFSGBZFN-UHFFFAOYSA-N
Compound name
1-nonyl-2-(2-nonylphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6122
Patents

422.35486 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.36214 215.7
[M+Na]+ 445.34408 217.0
[M-H]- 421.34758 219.4
[M+NH4]+ 440.38868 225.7
[M+K]+ 461.31802 209.7
[M+H-H2O]+ 405.35212 205.1
[M+HCOO]- 467.35306 234.6
[M+CH3COO]- 481.36871 233.8
[M+Na-2H]- 443.32953 213.3
[M]+ 422.35431 222.3
[M]- 422.35541 222.3
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