CID 3040761

Brn 2009876

Structural Information

Molecular Formula
C19H21ClO4
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H21ClO4/c1-4-22-18(21)19(2,3)24-17-11-9-16(10-12-17)23-13-14-5-7-15(20)8-6-14/h5-12H,4,13H2,1-3H3
InChIKey
DNTQHTSNFFZOSB-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

348.11282 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12010 180.3
[M+Na]+ 371.10204 187.6
[M-H]- 347.10554 186.9
[M+NH4]+ 366.14664 194.4
[M+K]+ 387.07598 183.6
[M+H-H2O]+ 331.11008 173.0
[M+HCOO]- 393.11102 196.9
[M+CH3COO]- 407.12667 210.8
[M+Na-2H]- 369.08749 183.6
[M]+ 348.11227 188.1
[M]- 348.11337 188.1
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