CID 26310

13860-63-4

Structural Information

Molecular Formula
C10H16Cl2N4O4
SMILES
C(CCC(=O)N(CCCl)N=O)CC(=O)N(CCCl)N=O
InChI
InChI=1S/C10H16Cl2N4O4/c11-5-7-15(13-19)9(17)3-1-2-4-10(18)16(14-20)8-6-12/h1-8H2
InChIKey
GNKNUDQODSQEAJ-UHFFFAOYSA-N
Compound name
N,N'-bis(2-chloroethyl)-N,N'-dinitrosohexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.05487 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.06215 169.1
[M+Na]+ 349.04409 175.1
[M+NH4]+ 344.08869 173.5
[M+K]+ 365.01803 171.2
[M-H]- 325.04759 168.4
[M+Na-2H]- 347.02954 170.8
[M]+ 326.05432 169.6
[M]- 326.05542 169.6
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.