CID 207732

Propane, 1,1-bis(p-chlorophenyl)-2,2-dimethyl-1,3-epoxy-

Structural Information

Molecular Formula
C17H16Cl2O
SMILES
CC1(COC1(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C17H16Cl2O/c1-16(2)11-20-17(16,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10H,11H2,1-2H3
InChIKey
HNYZIACDFSRNTN-UHFFFAOYSA-N
Compound name
2,2-bis(4-chlorophenyl)-3,3-dimethyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.05783 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06511 157.1
[M+Na]+ 329.04705 167.7
[M-H]- 305.05055 167.1
[M+NH4]+ 324.09165 170.3
[M+K]+ 345.02099 164.8
[M+H-H2O]+ 289.05509 147.6
[M+HCOO]- 351.05603 169.2
[M+CH3COO]- 365.07168 170.0
[M+Na-2H]- 327.03250 163.4
[M]+ 306.05728 170.1
[M]- 306.05838 170.1
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

patents stripe