CID 112547

63059-55-2

Structural Information

Molecular Formula
C22H35ClO2
SMILES
CCCCC(C(=O)Cl)OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C22H35ClO2/c1-8-11-12-19(20(23)24)25-18-14-13-16(21(4,5)9-2)15-17(18)22(6,7)10-3/h13-15,19H,8-12H2,1-7H3
InChIKey
LRKLDHJJKJBSIP-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

366.23254 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23982 193.5
[M+Na]+ 389.22176 204.1
[M+NH4]+ 384.26636 199.7
[M+K]+ 405.19570 197.6
[M-H]- 365.22526 193.6
[M+Na-2H]- 387.20721 196.7
[M]+ 366.23199 195.5
[M]- 366.23309 195.5
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