CID 3038944

42019-35-2

Structural Information

Molecular Formula
C21H23ClO4
SMILES
CC1=C(C=CC(=C1)OC(C)(C)C(=O)OC(C)C)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C21H23ClO4/c1-13(2)25-20(24)21(4,5)26-17-10-11-18(14(3)12-17)19(23)15-6-8-16(22)9-7-15/h6-13H,1-5H3
InChIKey
GZHWRXOQPRMMBT-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[4-(4-chlorobenzoyl)-3-methylphenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.12848 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13576 184.9
[M+Na]+ 397.11770 192.0
[M-H]- 373.12120 191.8
[M+NH4]+ 392.16230 198.1
[M+K]+ 413.09164 188.3
[M+H-H2O]+ 357.12574 178.2
[M+HCOO]- 419.12668 199.2
[M+CH3COO]- 433.14233 218.8
[M+Na-2H]- 395.10315 184.6
[M]+ 374.12793 192.1
[M]- 374.12903 192.1
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

patents stripe