CID 456736

3cltetrahphthal

Structural Information

Molecular Formula
C8H13ClN4O2
SMILES
C1C=CC(C(C1C(=O)NN)C(=O)NN)Cl
InChI
InChI=1S/C8H13ClN4O2/c9-5-3-1-2-4(7(14)12-10)6(5)8(15)13-11/h1,3-6H,2,10-11H2,(H,12,14)(H,13,15)
InChIKey
LLIWKDSLPRKYKB-UHFFFAOYSA-N
Compound name
3-chlorocyclohex-4-ene-1,2-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07271 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07999 150.6
[M+Na]+ 255.06193 155.7
[M-H]- 231.06543 153.0
[M+NH4]+ 250.10653 167.5
[M+K]+ 271.03587 152.7
[M+H-H2O]+ 215.06997 144.9
[M+HCOO]- 277.07091 169.7
[M+CH3COO]- 291.08656 197.4
[M+Na-2H]- 253.04738 151.8
[M]+ 232.07216 145.1
[M]- 232.07326 145.1
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.