CID 22694

6284-49-7

Structural Information

Molecular Formula
C13H15Cl5N2O
SMILES
CCN(CC)CCNC(=O)C(=C1C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H15Cl5N2O/c1-3-20(4-2)6-5-19-13(21)10(16)7-8(14)11(17)12(18)9(7)15/h3-6H2,1-2H3,(H,19,21)
InChIKey
LPAJESSSQHVIDM-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(diethylamino)ethyl]-2-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

389.9627 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.96998 192.2
[M+Na]+ 412.95192 199.3
[M-H]- 388.95542 191.8
[M+NH4]+ 407.99652 206.0
[M+K]+ 428.92586 193.1
[M+H-H2O]+ 372.95996 189.0
[M+HCOO]- 434.96090 190.6
[M+CH3COO]- 448.97655 224.3
[M+Na-2H]- 410.93737 185.1
[M]+ 389.96215 193.9
[M]- 389.96325 193.9
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.