CID 24274122

4-(2,4-dichlorophenyl)oxan-4-amine

Structural Information

Molecular Formula
C11H13Cl2NO
SMILES
C1COCCC1(C2=C(C=C(C=C2)Cl)Cl)N
InChI
InChI=1S/C11H13Cl2NO/c12-8-1-2-9(10(13)7-8)11(14)3-5-15-6-4-11/h1-2,7H,3-6,14H2
InChIKey
OWTHKFWXZKQTSF-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenyl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.03741 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04469 151.8
[M+Na]+ 268.02663 159.8
[M-H]- 244.03013 157.6
[M+NH4]+ 263.07123 170.5
[M+K]+ 284.00057 155.3
[M+H-H2O]+ 228.03467 147.0
[M+HCOO]- 290.03561 162.9
[M+CH3COO]- 304.05126 163.7
[M+Na-2H]- 266.01208 156.8
[M]+ 245.03686 150.3
[M]- 245.03796 150.3
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.