CID 98167

13909-11-0

Structural Information

Molecular Formula
C9H15Cl2N3O2
SMILES
C1CCC(C(C1)NC(=O)N(CCCl)N=O)Cl
InChI
InChI=1S/C9H15Cl2N3O2/c10-5-6-14(13-16)9(15)12-8-4-2-1-3-7(8)11/h7-8H,1-6H2,(H,12,15)
InChIKey
AVQDABCAQFMRFT-UHFFFAOYSA-N
Compound name
3-(2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.05414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06142 155.4
[M+Na]+ 290.04336 164.0
[M+NH4]+ 285.08796 162.8
[M+K]+ 306.01730 158.3
[M-H]- 266.04686 157.7
[M+Na-2H]- 288.02881 159.7
[M]+ 267.05359 157.3
[M]- 267.05469 157.3
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.