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

74
Patents

266.14374 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.151016 164.2
[M+Na]+ 289.132958 170.4
[M-H]- 265.136464 166.7
[M+NH4]+ 284.177563 181.8
[M+K]+ 305.106898 165.0
[M+H-H2O]+ 249.141000 158.3
[M+HCOO]- 311.141941 181.3
[M+CH3COO]- 325.157591 199.3
[M+Na-2H]- 287.118406 166.2
[M]+ 266.14319142 169.2
[M]- 266.14428858 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