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]+ 241.019676 148.7
[M+Na]+ 263.001618 159.3
[M-H]- 239.005124 153.8
[M+NH4]+ 258.046223 170.3
[M+K]+ 278.975558 153.6
[M+H-H2O]+ 223.009660 144.2
[M+HCOO]- 285.010601 166.0
[M+CH3COO]- 299.026251 191.8
[M+Na-2H]- 260.987066 152.1
[M]+ 240.01185142 152.8
[M]- 240.01294858 152.8
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.