CID 28364

17164-65-7

Structural Information

Molecular Formula
C11H13Cl2NO2
SMILES
CC1(COC(OC1)C2=CC(=C(C=C2)Cl)Cl)N
InChI
InChI=1S/C11H13Cl2NO2/c1-11(14)5-15-10(16-6-11)7-2-3-8(12)9(13)4-7/h2-4,10H,5-6,14H2,1H3
InChIKey
RYRMQVSKHWRIGN-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-5-methyl-1,3-dioxan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.03235 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03963 155.9
[M+Na]+ 284.02157 164.7
[M-H]- 260.02507 162.8
[M+NH4]+ 279.06617 172.9
[M+K]+ 299.99551 161.9
[M+H-H2O]+ 244.02961 151.2
[M+HCOO]- 306.03055 166.2
[M+CH3COO]- 320.04620 168.0
[M+Na-2H]- 282.00702 161.0
[M]+ 261.03180 156.8
[M]- 261.03290 156.8
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.