CID 98703

Urea, 1-(2-bromoethyl)-3-(3,4-xylyl)-

Structural Information

Molecular Formula
C11H15BrN2O
SMILES
CC1=C(C=C(C=C1)NC(=O)NCCBr)C
InChI
InChI=1S/C11H15BrN2O/c1-8-3-4-10(7-9(8)2)14-11(15)13-6-5-12/h3-4,7H,5-6H2,1-2H3,(H2,13,14,15)
InChIKey
QDACXZIAKSCSEG-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(3,4-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.03677 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04405 153.9
[M+Na]+ 293.02599 155.6
[M+NH4]+ 288.07059 158.0
[M+K]+ 308.99993 155.4
[M-H]- 269.02949 155.1
[M+Na-2H]- 291.01144 156.6
[M]+ 270.03622 153.1
[M]- 270.03732 153.1
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.