CID 87944

Sulfide, allyl 2-chloroethyl

Structural Information

Molecular Formula
C5H9ClS
SMILES
C=CCSCCCl
InChI
InChI=1S/C5H9ClS/c1-2-4-7-5-3-6/h2H,1,3-5H2
InChIKey
OLEMZWBORONVDW-UHFFFAOYSA-N
Compound name
3-(2-chloroethylsulfanyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

136.01135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.01863 123.8
[M+Na]+ 159.00057 132.4
[M-H]- 135.00407 124.5
[M+NH4]+ 154.04517 147.1
[M+K]+ 174.97451 129.0
[M+H-H2O]+ 119.00861 120.5
[M+HCOO]- 181.00955 138.0
[M+CH3COO]- 195.02520 171.3
[M+Na-2H]- 156.98602 127.3
[M]+ 136.01080 127.6
[M]- 136.01190 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe