CID 118702

Sulfide, o-chlorophenyl propyl

Structural Information

Molecular Formula
C9H11ClS
SMILES
CCCSC1=CC=CC=C1Cl
InChI
InChI=1S/C9H11ClS/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3
InChIKey
OZBYQKIAXXILTR-UHFFFAOYSA-N
Compound name
1-chloro-2-propylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

186.027 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03428 134.7
[M+Na]+ 209.01622 144.0
[M-H]- 185.01972 138.8
[M+NH4]+ 204.06082 156.4
[M+K]+ 224.99016 139.5
[M+H-H2O]+ 169.02426 130.4
[M+HCOO]- 231.02520 149.5
[M+CH3COO]- 245.04085 180.3
[M+Na-2H]- 207.00167 138.5
[M]+ 186.02645 139.0
[M]- 186.02755 139.0
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