CID 3045019

2-hydroxyethyl bis(4-chlorophenoxy)acetate

Structural Information

Molecular Formula
C16H14Cl2O5
SMILES
C1=CC(=CC=C1OC(C(=O)OCCO)OC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H14Cl2O5/c17-11-1-5-13(6-2-11)22-16(15(20)21-10-9-19)23-14-7-3-12(18)4-8-14/h1-8,16,19H,9-10H2
InChIKey
YIYCNCFDMMOPJD-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2,2-bis(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.02182 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.02910 172.4
[M+Na]+ 379.01104 180.2
[M-H]- 355.01454 177.3
[M+NH4]+ 374.05564 185.8
[M+K]+ 394.98498 175.5
[M+H-H2O]+ 339.01908 166.4
[M+HCOO]- 401.02002 184.6
[M+CH3COO]- 415.03567 206.3
[M+Na-2H]- 376.99649 174.5
[M]+ 356.02127 180.0
[M]- 356.02237 180.0
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.