CID 98167

Urea, n'-(2-chlorocyclohexyl)-n-(2-chloroethyl)-n-nitroso-, trans-

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 158.9
[M+Na]+ 290.04336 163.7
[M-H]- 266.04686 163.6
[M+NH4]+ 285.08796 176.8
[M+K]+ 306.01730 161.3
[M+H-H2O]+ 250.05140 153.5
[M+HCOO]- 312.05234 174.4
[M+CH3COO]- 326.06799 204.5
[M+Na-2H]- 288.02881 161.4
[M]+ 267.05359 159.7
[M]- 267.05469 159.7
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.