CID 25912

Chlorbromuron

Structural Information

Molecular Formula
C9H10BrClN2O2
SMILES
CN(C(=O)NC1=CC(=C(C=C1)Br)Cl)OC
InChI
InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKey
NLYNUTMZTCLNOO-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

19
References

13267
Patents

291.96143 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.96871 152.2
[M+Na]+ 314.95065 154.7
[M+NH4]+ 309.99525 156.5
[M+K]+ 330.92459 155.1
[M-H]- 290.95415 153.2
[M+Na-2H]- 312.93610 155.3
[M]+ 291.96088 151.7
[M]- 291.96198 151.7
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