CID 211028

22068-57-1

Structural Information

Molecular Formula
C10H12OS2
SMILES
CC1(SCCS1)C2=CC=C(C=C2)O
InChI
InChI=1S/C10H12OS2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey
QTPANKHZSIPRCL-UHFFFAOYSA-N
Compound name
4-(2-methyl-1,3-dithiolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03296 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04024 142.7
[M+Na]+ 235.02218 151.2
[M-H]- 211.02568 148.1
[M+NH4]+ 230.06678 165.4
[M+K]+ 250.99612 146.8
[M+H-H2O]+ 195.03022 138.4
[M+HCOO]- 257.03116 154.6
[M+CH3COO]- 271.04681 155.5
[M+Na-2H]- 233.00763 143.8
[M]+ 212.03241 142.4
[M]- 212.03351 142.4
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.