CID 379089

Nsc663302

Structural Information

Molecular Formula
C13H10O2S
SMILES
C1=CC=C2C(=C1)C=C(S2)C(C3=COC=C3)O
InChI
InChI=1S/C13H10O2S/c14-13(10-5-6-15-8-10)12-7-9-3-1-2-4-11(9)16-12/h1-8,13-14H
InChIKey
BFWAPUYUYMZHAR-UHFFFAOYSA-N
Compound name
1-benzothiophen-2-yl(furan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.04015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04743 148.5
[M+Na]+ 253.02937 159.2
[M-H]- 229.03287 157.2
[M+NH4]+ 248.07397 170.1
[M+K]+ 269.00331 156.5
[M+H-H2O]+ 213.03741 144.3
[M+HCOO]- 275.03835 168.6
[M+CH3COO]- 289.05400 163.0
[M+Na-2H]- 251.01482 151.5
[M]+ 230.03960 153.4
[M]- 230.04070 153.4
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.