CID 5324157

1-chloro-4-(isopropylsulfanyl)benzene

Structural Information

Molecular Formula
C9H11ClS
SMILES
CC(C)SC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H11ClS/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,1-2H3
InChIKey
ZWKPKISWPZWKLB-UHFFFAOYSA-N
Compound name
1-chloro-4-propan-2-ylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

186.027 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03428 137.1
[M+Na]+ 209.01622 151.3
[M+NH4]+ 204.06082 147.8
[M+K]+ 224.99016 141.4
[M-H]- 185.01972 140.6
[M+Na-2H]- 207.00167 144.5
[M]+ 186.02645 141.1
[M]- 186.02755 141.1
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