CID 3054624

Brn 3005107

Structural Information

Molecular Formula
C20H23ClO4
SMILES
CCC(C)(C(=O)OCC)OC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H23ClO4/c1-4-20(3,19(22)23-5-2)25-18-12-10-17(11-13-18)24-14-15-6-8-16(21)9-7-15/h6-13H,4-5,14H2,1-3H3
InChIKey
ZUNNLBNOIYIXCW-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12848 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13576 185.0
[M+Na]+ 385.11770 191.8
[M-H]- 361.12120 191.4
[M+NH4]+ 380.16230 198.5
[M+K]+ 401.09164 187.6
[M+H-H2O]+ 345.12574 177.5
[M+HCOO]- 407.12668 201.3
[M+CH3COO]- 421.14233 213.7
[M+Na-2H]- 383.10315 187.7
[M]+ 362.12793 193.1
[M]- 362.12903 193.1
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

No patent data available for this compound.