CID 96556

1-(2-bromoethyl)-3-phenylurea

Structural Information

Molecular Formula
C9H11BrN2O
SMILES
C1=CC=C(C=C1)NC(=O)NCCBr
InChI
InChI=1S/C9H11BrN2O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13)
InChIKey
JXTNSWBSWXAYBC-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

242.00548 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01276 145.8
[M+Na]+ 264.99470 147.2
[M+NH4]+ 260.03930 150.2
[M+K]+ 280.96864 147.0
[M-H]- 240.99820 146.9
[M+Na-2H]- 262.98015 149.4
[M]+ 242.00493 144.8
[M]- 242.00603 144.8
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

patents stripe