CID 3071893

139219-57-1

Structural Information

Molecular Formula
C10H13Cl2NO3
SMILES
COC1(C(=C(C(=O)C1(CC=C)Cl)Cl)N)OC
InChI
InChI=1S/C10H13Cl2NO3/c1-4-5-9(12)8(14)6(11)7(13)10(9,15-2)16-3/h4H,1,5,13H2,2-3H3
InChIKey
YXLOQWDRMYYQLS-UHFFFAOYSA-N
Compound name
3-amino-2,5-dichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.02725 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03453 148.4
[M+Na]+ 288.01647 160.3
[M-H]- 264.01997 152.1
[M+NH4]+ 283.06107 172.2
[M+K]+ 303.99041 155.1
[M+H-H2O]+ 248.02451 147.4
[M+HCOO]- 310.02545 163.8
[M+CH3COO]- 324.04110 195.6
[M+Na-2H]- 286.00192 151.6
[M]+ 265.02670 153.9
[M]- 265.02780 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.