CID 3016554

50772-29-7

Structural Information

Molecular Formula
C20H31ClO2
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)Cl)C(C)(C)CC
InChI
InChI=1S/C20H31ClO2/c1-7-19(3,4)15-11-12-17(23-13-9-10-18(21)22)16(14-15)20(5,6)8-2/h11-12,14H,7-10,13H2,1-6H3
InChIKey
WBQWCMNVBGTAAM-UHFFFAOYSA-N
Compound name
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

338.20126 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20854 185.1
[M+Na]+ 361.19048 196.5
[M+NH4]+ 356.23508 191.8
[M+K]+ 377.16442 189.6
[M-H]- 337.19398 185.5
[M+Na-2H]- 359.17593 189.2
[M]+ 338.20071 187.3
[M]- 338.20181 187.3
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