CID 2753414

4-nonylbenzoyl chloride

Structural Information

Molecular Formula
C16H23ClO
SMILES
CCCCCCCCCC1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C16H23ClO/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13H,2-9H2,1H3
InChIKey
OGIZCELCHIWJEP-UHFFFAOYSA-N
Compound name
4-nonylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

266.14374 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15102 164.2
[M+Na]+ 289.13296 170.4
[M-H]- 265.13646 166.7
[M+NH4]+ 284.17756 181.8
[M+K]+ 305.10690 165.0
[M+H-H2O]+ 249.14100 158.3
[M+HCOO]- 311.14194 181.3
[M+CH3COO]- 325.15759 199.3
[M+Na-2H]- 287.11841 166.2
[M]+ 266.14319 169.2
[M]- 266.14429 169.2
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