CID 37750

37483-53-7

Structural Information

Molecular Formula
C12H15ClO3
SMILES
CCOC(=O)CCCOC1=CC(=CC=C1)Cl
InChI
InChI=1S/C12H15ClO3/c1-2-15-12(14)7-4-8-16-11-6-3-5-10(13)9-11/h3,5-6,9H,2,4,7-8H2,1H3
InChIKey
XHLJBGLIWSMMOV-UHFFFAOYSA-N
Compound name
ethyl 4-(3-chlorophenoxy)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07097 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07825 151.5
[M+Na]+ 265.06019 159.4
[M-H]- 241.06369 154.8
[M+NH4]+ 260.10479 170.1
[M+K]+ 281.03413 156.2
[M+H-H2O]+ 225.06823 146.0
[M+HCOO]- 287.06917 170.5
[M+CH3COO]- 301.08482 190.6
[M+Na-2H]- 263.04564 155.8
[M]+ 242.07042 157.8
[M]- 242.07152 157.8
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.