CID 474291

(2-phenyl-1,3-dithiolan-4-yl)methanol

Structural Information

Molecular Formula
C10H12OS2
SMILES
C1C(SC(S1)C2=CC=CC=C2)CO
InChI
InChI=1S/C10H12OS2/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKey
DQMFAILGDDQJIX-UHFFFAOYSA-N
Compound name
(2-phenyl-1,3-dithiolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

212.03296 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04024 143.1
[M+Na]+ 235.02218 151.0
[M-H]- 211.02568 148.4
[M+NH4]+ 230.06678 163.9
[M+K]+ 250.99612 146.3
[M+H-H2O]+ 195.03022 138.1
[M+HCOO]- 257.03116 155.1
[M+CH3COO]- 271.04681 155.5
[M+Na-2H]- 233.00763 142.6
[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

literature stripe

Patent stripe

patents stripe