CID 212005

Urea, ((5-bromobenzo(b)thien-2-yl)methyl)-

Structural Information

Molecular Formula
C10H9BrN2OS
SMILES
C1=CC2=C(C=C1Br)C=C(S2)CNC(=O)N
InChI
InChI=1S/C10H9BrN2OS/c11-7-1-2-9-6(3-7)4-8(15-9)5-13-10(12)14/h1-4H,5H2,(H3,12,13,14)
InChIKey
IQKAIYNZHIFPPW-UHFFFAOYSA-N
Compound name
(5-bromo-1-benzothiophen-2-yl)methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.9619 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.96918 144.9
[M+Na]+ 306.95112 146.7
[M+NH4]+ 301.99572 150.2
[M+K]+ 322.92506 146.9
[M-H]- 282.95462 146.4
[M+Na-2H]- 304.93657 147.8
[M]+ 283.96135 144.6
[M]- 283.96245 144.6
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.