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 148.7
[M+Na]+ 263.00162 159.3
[M-H]- 239.00512 153.8
[M+NH4]+ 258.04622 170.3
[M+K]+ 278.97556 153.6
[M+H-H2O]+ 223.00966 144.2
[M+HCOO]- 285.01060 166.0
[M+CH3COO]- 299.02625 191.8
[M+Na-2H]- 260.98707 152.1
[M]+ 240.01185 152.8
[M]- 240.01295 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.