CID 75355833

1-[5-chloro-2-(ethylsulfanyl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C10H11ClOS
SMILES
CCSC1=C(C=C(C=C1)Cl)C(=O)C
InChI
InChI=1S/C10H11ClOS/c1-3-13-10-5-4-8(11)6-9(10)7(2)12/h4-6H,3H2,1-2H3
InChIKey
MKJNAFQHOSAGND-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-ethylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.02191 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02919 141.1
[M+Na]+ 237.01113 150.7
[M-H]- 213.01463 145.5
[M+NH4]+ 232.05573 161.7
[M+K]+ 252.98507 146.2
[M+H-H2O]+ 197.01917 136.7
[M+HCOO]- 259.02011 154.9
[M+CH3COO]- 273.03576 186.2
[M+Na-2H]- 234.99658 142.6
[M]+ 214.02136 146.3
[M]- 214.02246 146.3
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

No patent data available for this compound.