CID 212006

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

Structural Information

Molecular Formula
C11H11ClN2OS
SMILES
C1=CC2=C(C=C1Cl)C=C(S2)CCNC(=O)N
InChI
InChI=1S/C11H11ClN2OS/c12-8-1-2-10-7(5-8)6-9(16-10)3-4-14-11(13)15/h1-2,5-6H,3-4H2,(H3,13,14,15)
InChIKey
ANEUBMZKSQUXCV-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-benzothiophen-2-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]+ 255.035336 153.2
[M+Na]+ 277.017278 163.3
[M-H]- 253.020784 158.2
[M+NH4]+ 272.061883 174.2
[M+K]+ 292.991218 157.5
[M+H-H2O]+ 237.025320 148.5
[M+HCOO]- 299.026261 170.2
[M+CH3COO]- 313.041911 194.8
[M+Na-2H]- 275.002726 156.1
[M]+ 254.02751142 157.7
[M]- 254.02860858 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.