CID 98696

1-(2-bromoethyl)-3-(p-chlorophenyl)urea

Structural Information

Molecular Formula
C9H10BrClN2O
SMILES
C1=CC(=CC=C1NC(=O)NCCBr)Cl
InChI
InChI=1S/C9H10BrClN2O/c10-5-6-12-9(14)13-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H2,12,13,14)
InChIKey
JVVBJYJBWXDKNG-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.97378 150.3
[M+Na]+ 298.95572 160.9
[M-H]- 274.95922 156.2
[M+NH4]+ 294.00032 170.3
[M+K]+ 314.92966 147.5
[M+H-H2O]+ 258.96376 149.7
[M+HCOO]- 320.96470 169.1
[M+CH3COO]- 334.98035 196.2
[M+Na-2H]- 296.94117 157.4
[M]+ 275.96595 169.3
[M]- 275.96705 169.3
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.