CID 10909502

Thiophen-2-ol

Structural Information

Molecular Formula
C4H4OS
SMILES
C1=CSC(=C1)O
InChI
InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-3,5H
InChIKey
WZMPOCLULGAHJR-UHFFFAOYSA-N
Compound name
thiophen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

3482
Patents

99.99828 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.00556 114.7
[M+Na]+ 122.98750 124.3
[M-H]- 98.991004 118.0
[M+NH4]+ 118.03210 139.8
[M+K]+ 138.96144 122.7
[M+H-H2O]+ 82.995540 110.6
[M+HCOO]- 144.99648 135.1
[M+CH3COO]- 159.01213 159.7
[M+Na-2H]- 120.97295 119.2
[M]+ 99.997731 115.5
[M]- 99.998829 115.5
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