CID 4330771

Bisphenol f bis(3-chloro-2-hydroxypropyl) ether

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

384.0895 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.096776 184.3
[M+Na]+ 407.078718 190.1
[M-H]- 383.082224 187.1
[M+NH4]+ 402.123323 195.9
[M+K]+ 423.052658 183.8
[M+H-H2O]+ 367.086760 178.1
[M+HCOO]- 429.087701 193.5
[M+CH3COO]- 443.103351 211.8
[M+Na-2H]- 405.064166 184.3
[M]+ 384.08895142 190.5
[M]- 384.09004858 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

literature stripe

Patent stripe

patents stripe