CID 84937

15482-83-4

Structural Information

Molecular Formula
C10H10Cl3NO2
SMILES
C1=C(C(=O)C=C(C1=O)Cl)N(CCCl)CCCl
InChI
InChI=1S/C10H10Cl3NO2/c11-1-3-14(4-2-12)8-6-9(15)7(13)5-10(8)16/h5-6H,1-4H2
InChIKey
MSHUKKIAVAFRSS-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-5-chlorocyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.97772 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.98500 155.0
[M+Na]+ 303.96694 168.4
[M+NH4]+ 299.01154 163.1
[M+K]+ 319.94088 160.6
[M-H]- 279.97044 156.7
[M+Na-2H]- 301.95239 160.6
[M]+ 280.97717 158.2
[M]- 280.97827 158.2
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.