CID 20311157

2-(octyloxy)benzoyl chloride

Structural Information

Molecular Formula
C15H21ClO2
SMILES
CCCCCCCCOC1=CC=CC=C1C(=O)Cl
InChI
InChI=1S/C15H21ClO2/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3
InChIKey
WCJLKAOWUBVWSG-UHFFFAOYSA-N
Compound name
2-octoxybenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

268.12302 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13030 162.5
[M+Na]+ 291.11224 169.2
[M-H]- 267.11574 165.3
[M+NH4]+ 286.15684 180.0
[M+K]+ 307.08618 164.6
[M+H-H2O]+ 251.12028 156.6
[M+HCOO]- 313.12122 180.3
[M+CH3COO]- 327.13687 198.3
[M+Na-2H]- 289.09769 165.1
[M]+ 268.12247 168.6
[M]- 268.12357 168.6
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