CID 58452326

4-bromo-2-chloro-1-(ethylsulfanyl)benzene

Structural Information

Molecular Formula
C8H8BrClS
SMILES
CCSC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C8H8BrClS/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3
InChIKey
VDYKZFAVOVELEH-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-1-ethylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

249.92186 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92914 132.2
[M+Na]+ 272.91108 137.8
[M+NH4]+ 267.95568 139.2
[M+K]+ 288.88502 134.6
[M-H]- 248.91458 134.3
[M+Na-2H]- 270.89653 137.3
[M]+ 249.92131 133.3
[M]- 249.92241 133.3
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

patents stripe