CID 13089860

1708-72-1

Structural Information

Molecular Formula
C5H11ClS
SMILES
CC(C)CSCCl
InChI
InChI=1S/C5H11ClS/c1-5(2)3-7-4-6/h5H,3-4H2,1-2H3
InChIKey
JGQIYFQNVBEYPF-UHFFFAOYSA-N
Compound name
1-(chloromethylsulfanyl)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

138.027 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03428 124.9
[M+Na]+ 161.01622 133.0
[M-H]- 137.01972 125.7
[M+NH4]+ 156.06082 148.3
[M+K]+ 176.99016 130.6
[M+H-H2O]+ 121.02426 121.7
[M+HCOO]- 183.02520 138.0
[M+CH3COO]- 197.04085 173.0
[M+Na-2H]- 159.00167 127.4
[M]+ 138.02645 128.9
[M]- 138.02755 128.9
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