CID 212060

Urea, (2-(5-chlorobenzo(b)thien-3-yl)ethyl)-

Structural Information

Molecular Formula
C11H11ClN2OS
SMILES
C1=CC2=C(C=C1Cl)C(=CS2)CCNC(=O)N
InChI
InChI=1S/C11H11ClN2OS/c12-8-1-2-10-9(5-8)7(6-16-10)3-4-14-11(13)15/h1-2,5-6H,3-4H2,(H3,13,14,15)
InChIKey
QIJYYHWQVCEFBX-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-benzothiophen-3-yl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02806 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03534 153.2
[M+Na]+ 277.01728 163.3
[M-H]- 253.02078 158.2
[M+NH4]+ 272.06188 174.2
[M+K]+ 292.99122 157.5
[M+H-H2O]+ 237.02532 148.5
[M+HCOO]- 299.02626 170.2
[M+CH3COO]- 313.04191 194.8
[M+Na-2H]- 275.00273 156.1
[M]+ 254.02751 157.7
[M]- 254.02861 157.7
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.