CID 5829438

Cinnamyl(4-chlorophenyl) sulfide

Structural Information

Molecular Formula
C15H13ClS
SMILES
C1=CC=C(C=C1)/C=C/CSC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H13ClS/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-11H,12H2/b7-4+
InChIKey
QYRBZQGNYRVPPI-QPJJXVBHSA-N
Compound name
1-chloro-4-[(E)-3-phenylprop-2-enyl]sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.04266 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04994 155.4
[M+Na]+ 283.03188 164.3
[M-H]- 259.03538 162.1
[M+NH4]+ 278.07648 173.8
[M+K]+ 299.00582 156.9
[M+H-H2O]+ 243.03992 149.3
[M+HCOO]- 305.04086 170.1
[M+CH3COO]- 319.05651 167.9
[M+Na-2H]- 281.01733 158.7
[M]+ 260.04211 158.8
[M]- 260.04321 158.8
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.