CID 38775

Brn 5517968

Structural Information

Molecular Formula
C11H13FS2
SMILES
CCC1(SCCS1)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H13FS2/c1-2-11(13-7-8-14-11)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey
IEBZUNXXAKBBHS-UHFFFAOYSA-N
Compound name
2-ethyl-2-(4-fluorophenyl)-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.04427 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05155 144.7
[M+Na]+ 251.03349 153.4
[M-H]- 227.03699 150.0
[M+NH4]+ 246.07809 167.4
[M+K]+ 267.00743 148.9
[M+H-H2O]+ 211.04153 139.0
[M+HCOO]- 273.04247 156.5
[M+CH3COO]- 287.05812 157.3
[M+Na-2H]- 249.01894 144.9
[M]+ 228.04372 144.1
[M]- 228.04482 144.1
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