CID 66612

88-34-6

Structural Information

Molecular Formula
C18H27ClO2
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)Cl)C(C)(C)CC
InChI
InChI=1S/C18H27ClO2/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3
InChIKey
KSYTWDUNKAIFLK-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

310.16995 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17723 173.8
[M+Na]+ 333.15917 181.0
[M-H]- 309.16267 177.3
[M+NH4]+ 328.20377 190.3
[M+K]+ 349.13311 176.8
[M+H-H2O]+ 293.16721 168.9
[M+HCOO]- 355.16815 187.5
[M+CH3COO]- 369.18380 209.2
[M+Na-2H]- 331.14462 176.1
[M]+ 310.16940 180.6
[M]- 310.17050 180.6
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