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 153.6
[M+Na]+ 293.02599 163.2
[M-H]- 269.02949 159.6
[M+NH4]+ 288.07059 173.2
[M+K]+ 308.99993 151.4
[M+H-H2O]+ 253.03403 151.9
[M+HCOO]- 315.03497 176.0
[M+CH3COO]- 329.05062 199.5
[M+Na-2H]- 291.01144 159.3
[M]+ 270.03622 171.6
[M]- 270.03732 171.6
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.