CID 108612

N,n'-dichloro-1,4-benzenedicarboxamide

Structural Information

Molecular Formula
C8H6Cl2N2O2
SMILES
C1=CC(=CC=C1C(=O)NCl)C(=O)NCl
InChI
InChI=1S/C8H6Cl2N2O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h1-4H,(H,11,13)(H,12,14)
InChIKey
CUYNKFJGRKFACL-UHFFFAOYSA-N
Compound name
1-N,4-N-dichlorobenzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

231.98064 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.98792 144.8
[M+Na]+ 254.96986 153.1
[M-H]- 230.97336 148.1
[M+NH4]+ 250.01446 163.4
[M+K]+ 270.94380 148.6
[M+H-H2O]+ 214.97790 140.6
[M+HCOO]- 276.97884 161.1
[M+CH3COO]- 290.99449 190.4
[M+Na-2H]- 252.95531 149.6
[M]+ 231.98009 146.6
[M]- 231.98119 146.6
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

patents stripe