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]+ 167.052516 131.0
[M+Na]+ 189.034458 140.6
[M-H]- 165.037964 136.9
[M+NH4]+ 184.079063 154.4
[M+K]+ 205.008398 139.2
[M+H-H2O]+ 149.042500 126.7
[M+HCOO]- 211.043441 149.4
[M+CH3COO]- 225.059091 145.9
[M+Na-2H]- 187.019906 136.1
[M]+ 166.04469142 134.0
[M]- 166.04578858 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