CID 61270856

(2,5-dichlorophenyl)(oxolan-3-yl)methanamine

Structural Information

Molecular Formula
C11H13Cl2NO
SMILES
C1COCC1C(C2=C(C=CC(=C2)Cl)Cl)N
InChI
InChI=1S/C11H13Cl2NO/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11H,3-4,6,14H2
InChIKey
IEPFJYJWIRRJLA-UHFFFAOYSA-N
Compound name
(2,5-dichlorophenyl)-(oxolan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.03741 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04469 155.4
[M+Na]+ 268.02663 163.1
[M-H]- 244.03013 161.2
[M+NH4]+ 263.07123 173.9
[M+K]+ 284.00057 158.4
[M+H-H2O]+ 228.03467 150.4
[M+HCOO]- 290.03561 167.4
[M+CH3COO]- 304.05126 191.3
[M+Na-2H]- 266.01208 156.5
[M]+ 245.03686 155.0
[M]- 245.03796 155.0
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.