CID 43176

2-chloro-4-nonylphenol

Structural Information

Molecular Formula
C15H23ClO
SMILES
CCCCCCCCCC1=CC(=C(C=C1)O)Cl
InChI
InChI=1S/C15H23ClO/c1-2-3-4-5-6-7-8-9-13-10-11-15(17)14(16)12-13/h10-12,17H,2-9H2,1H3
InChIKey
HJBUWTLHZIRBIM-UHFFFAOYSA-N
Compound name
2-chloro-4-nonylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

51
Patents

254.14374 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15102 160.4
[M+Na]+ 277.13296 167.6
[M-H]- 253.13646 162.0
[M+NH4]+ 272.17756 178.3
[M+K]+ 293.10690 161.8
[M+H-H2O]+ 237.14100 155.1
[M+HCOO]- 299.14194 177.2
[M+CH3COO]- 313.15759 194.9
[M+Na-2H]- 275.11841 163.1
[M]+ 254.14319 164.8
[M]- 254.14429 164.8
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

patents stripe