CID 212004

((5-chlorobenzo(b)thien-2-yl)methyl)urea

Structural Information

Molecular Formula
C10H9ClN2OS
SMILES
C1=CC2=C(C=C1Cl)C=C(S2)CNC(=O)N
InChI
InChI=1S/C10H9ClN2OS/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
YWDIARFDMVOHBQ-UHFFFAOYSA-N
Compound name
(5-chloro-1-benzothiophen-2-yl)methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0124 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01968 148.5
[M+Na]+ 263.00162 160.3
[M+NH4]+ 258.04622 157.9
[M+K]+ 278.97556 153.2
[M-H]- 239.00512 151.8
[M+Na-2H]- 260.98707 154.3
[M]+ 240.01185 151.7
[M]- 240.01295 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.