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

47
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 134.7
[M+Na]+ 209.01622 143.7
[M-H]- 185.01972 138.8
[M+NH4]+ 204.06082 156.3
[M+K]+ 224.99016 139.5
[M+H-H2O]+ 169.02426 130.4
[M+HCOO]- 231.02520 148.4
[M+CH3COO]- 245.04085 181.1
[M+Na-2H]- 207.00167 137.3
[M]+ 186.02645 138.4
[M]- 186.02755 138.4
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