CID 131877790

325855-89-8

Structural Information

Molecular Formula
C26H43ClO4S
SMILES
CCCCCCCCC(CCCCCC)COC1=CC=C(C=C1)S(=O)(=O)C(CC)C(=O)Cl
InChI
InChI=1S/C26H43ClO4S/c1-4-7-9-11-12-14-16-22(15-13-10-8-5-2)21-31-23-17-19-24(20-18-23)32(29,30)25(6-3)26(27)28/h17-20,22,25H,4-16,21H2,1-3H3
InChIKey
KTKOWADNISOOEN-UHFFFAOYSA-N
Compound name
2-[4-(2-hexyldecoxy)phenyl]sulfonylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

486.25705 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.26433 220.7
[M+Na]+ 509.24627 222.2
[M-H]- 485.24977 222.0
[M+NH4]+ 504.29087 229.5
[M+K]+ 525.22021 215.9
[M+H-H2O]+ 469.25431 213.3
[M+HCOO]- 531.25525 226.9
[M+CH3COO]- 545.27090 238.2
[M+Na-2H]- 507.23172 214.5
[M]+ 486.25650 232.7
[M]- 486.25760 232.7
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.