CID 515169

1-thianthren-2-ylethanol

Structural Information

Molecular Formula
C14H12OS2
SMILES
CC(C1=CC2=C(C=C1)SC3=CC=CC=C3S2)O
InChI
InChI=1S/C14H12OS2/c1-9(15)10-6-7-13-14(8-10)17-12-5-3-2-4-11(12)16-13/h2-9,15H,1H3
InChIKey
HORUIUBBAILMEI-UHFFFAOYSA-N
Compound name
1-thianthren-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

260.03296 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04024 148.9
[M+Na]+ 283.02218 157.2
[M-H]- 259.02568 152.4
[M+NH4]+ 278.06678 167.9
[M+K]+ 298.99612 151.4
[M+H-H2O]+ 243.03022 143.8
[M+HCOO]- 305.03116 157.3
[M+CH3COO]- 319.04681 160.3
[M+Na-2H]- 281.00763 153.4
[M]+ 260.03241 150.2
[M]- 260.03351 150.2
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