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]+ 246.044686 151.8
[M+Na]+ 268.026628 159.8
[M-H]- 244.030134 157.6
[M+NH4]+ 263.071233 170.5
[M+K]+ 284.000568 155.3
[M+H-H2O]+ 228.034670 147.0
[M+HCOO]- 290.035611 162.9
[M+CH3COO]- 304.051261 163.7
[M+Na-2H]- 266.012076 156.8
[M]+ 245.03686142 150.3
[M]- 245.03795858 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.