CID 108960

1,4-cyclohexanedicarboxamide, n1,n4-dichloro-

Structural Information

Molecular Formula
C8H12Cl2N2O2
SMILES
C1CC(CCC1C(=O)NCl)C(=O)NCl
InChI
InChI=1S/C8H12Cl2N2O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h5-6H,1-4H2,(H,11,13)(H,12,14)
InChIKey
BLFHVRDDWNQFKJ-UHFFFAOYSA-N
Compound name
1-N,4-N-dichlorocyclohexane-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.02759 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03487 150.0
[M+Na]+ 261.01681 155.2
[M-H]- 237.02031 152.2
[M+NH4]+ 256.06141 168.0
[M+K]+ 276.99075 151.4
[M+H-H2O]+ 221.02485 145.9
[M+HCOO]- 283.02579 161.9
[M+CH3COO]- 297.04144 191.6
[M+Na-2H]- 259.00226 151.8
[M]+ 238.02704 147.4
[M]- 238.02814 147.4
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

patents stripe