CID 62906921

4-[chloro(4-chlorophenyl)methyl]oxane

Structural Information

Molecular Formula
C12H14Cl2O
SMILES
C1COCCC1C(C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H14Cl2O/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-4,10,12H,5-8H2
InChIKey
FFWCWDNLIKYOJK-UHFFFAOYSA-N
Compound name
4-[chloro-(4-chlorophenyl)methyl]oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04218 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04946 151.9
[M+Na]+ 267.03140 158.1
[M-H]- 243.03490 157.4
[M+NH4]+ 262.07600 168.8
[M+K]+ 283.00534 154.1
[M+H-H2O]+ 227.03944 146.4
[M+HCOO]- 289.04038 161.2
[M+CH3COO]- 303.05603 163.3
[M+Na-2H]- 265.01685 155.6
[M]+ 244.04163 151.1
[M]- 244.04273 151.1
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

No patent data available for this compound.