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]+ 261.055576 157.8
[M+Na]+ 283.037518 166.3
[M-H]- 259.041024 161.2
[M+NH4]+ 278.082123 176.0
[M+K]+ 299.011458 161.1
[M+H-H2O]+ 243.045560 153.7
[M+HCOO]- 305.046501 172.0
[M+CH3COO]- 319.062151 198.1
[M+Na-2H]- 281.022966 162.0
[M]+ 260.04775142 160.2
[M]- 260.04884858 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.