CID 16074

(4-bromophenyl)urea

Structural Information

Molecular Formula
C7H7BrN2O
SMILES
C1=CC(=CC=C1NC(=O)N)Br
InChI
InChI=1S/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
PFQUUCXMPUNRLA-UHFFFAOYSA-N
Compound name
(4-bromophenyl)urea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

203
Patents

213.97418 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.981456 136.1
[M+Na]+ 236.963398 146.4
[M-H]- 212.966904 142.0
[M+NH4]+ 232.008003 157.2
[M+K]+ 252.937338 135.2
[M+H-H2O]+ 196.971440 135.0
[M+HCOO]- 258.972381 159.2
[M+CH3COO]- 272.988031 187.1
[M+Na-2H]- 234.948846 143.6
[M]+ 213.97363142 151.6
[M]- 213.97472858 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe