CID 37413

2-(p-chlorophenacylthio)-2-imidazolinium bromide

Structural Information

Molecular Formula
C11H11ClN2S
SMILES
C1CN=C(N1)CC(=S)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClN2S/c12-9-3-1-8(2-4-9)10(15)7-11-13-5-6-14-11/h1-4H,5-7H2,(H,13,14)
InChIKey
AQAQPHCGDIISPR-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.03314 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04042 151.3
[M+Na]+ 261.02236 164.2
[M+NH4]+ 256.06696 160.2
[M+K]+ 276.99630 156.4
[M-H]- 237.02586 153.9
[M+Na-2H]- 259.00781 157.9
[M]+ 238.03259 154.5
[M]- 238.03369 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.