CID 13730326

54473-54-0

Structural Information

Molecular Formula
C5H9ClOS
SMILES
CSCCCC(=O)Cl
InChI
InChI=1S/C5H9ClOS/c1-8-4-2-3-5(6)7/h2-4H2,1H3
InChIKey
QXRMVDLKSHMLTB-UHFFFAOYSA-N
Compound name
4-methylsulfanylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

152.00627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.013546 127.2
[M+Na]+ 174.995488 135.5
[M-H]- 150.998994 128.0
[M+NH4]+ 170.040093 149.9
[M+K]+ 190.969428 132.9
[M+H-H2O]+ 135.003530 123.9
[M+HCOO]- 197.004471 140.8
[M+CH3COO]- 211.020121 173.9
[M+Na-2H]- 172.980936 129.7
[M]+ 152.00572142 131.9
[M]- 152.00681858 131.9
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