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 172.4
[M+Na]+ 349.04409 177.5
[M-H]- 325.04759 177.2
[M+NH4]+ 344.08869 188.9
[M+K]+ 365.01803 177.4
[M+H-H2O]+ 309.05213 166.4
[M+HCOO]- 371.05307 193.3
[M+CH3COO]- 385.06872 223.6
[M+Na-2H]- 347.02954 174.4
[M]+ 326.05432 182.9
[M]- 326.05542 182.9
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.