CID 69984007

374772-79-9

Structural Information

Molecular Formula
C19H22Cl2O4
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)OCC(CO)Cl)OCC(CO)Cl
InChI
InChI=1S/C19H22Cl2O4/c20-16(10-22)12-24-18-5-1-14(2-6-18)9-15-3-7-19(8-4-15)25-13-17(21)11-23/h1-8,16-17,22-23H,9-13H2
InChIKey
VAFXFEBPCUMOIF-UHFFFAOYSA-N
Compound name
2-chloro-3-[4-[[4-(2-chloro-3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

384.0895 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09678 184.3
[M+Na]+ 407.07872 190.1
[M-H]- 383.08222 187.1
[M+NH4]+ 402.12332 195.9
[M+K]+ 423.05266 183.8
[M+H-H2O]+ 367.08676 178.1
[M+HCOO]- 429.08770 193.5
[M+CH3COO]- 443.10335 211.8
[M+Na-2H]- 405.06417 184.3
[M]+ 384.08895 190.5
[M]- 384.09005 190.5
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