CID 268082

1-tert-butyl-3-(3,4-dichloro-phenyl)-urea

Structural Information

Molecular Formula
C11H14Cl2N2O
SMILES
CC(C)(C)NC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H14Cl2N2O/c1-11(2,3)15-10(16)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H2,14,15,16)
InChIKey
SXZSYOSKRUBGFH-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0483 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05558 157.8
[M+Na]+ 283.03752 166.3
[M-H]- 259.04102 161.2
[M+NH4]+ 278.08212 176.0
[M+K]+ 299.01146 161.1
[M+H-H2O]+ 243.04556 153.7
[M+HCOO]- 305.04650 172.0
[M+CH3COO]- 319.06215 198.1
[M+Na-2H]- 281.02297 162.0
[M]+ 260.04775 160.2
[M]- 260.04885 160.2
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.