CID 79885132

1521860-04-7

Structural Information

Molecular Formula
C9H10OS
SMILES
C1COC2=C1C=C(C=C2)CS
InChI
InChI=1S/C9H10OS/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-2,5,11H,3-4,6H2
InChIKey
XVUFDETZPHITBG-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-5-ylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.04524 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05252 131.0
[M+Na]+ 189.03446 140.6
[M-H]- 165.03796 136.9
[M+NH4]+ 184.07906 154.4
[M+K]+ 205.00840 139.2
[M+H-H2O]+ 149.04250 126.7
[M+HCOO]- 211.04344 149.4
[M+CH3COO]- 225.05909 145.9
[M+Na-2H]- 187.01991 136.1
[M]+ 166.04469 134.0
[M]- 166.04579 134.0
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