CID 8030

Thiophene

Structural Information

Molecular Formula
C4H4S
SMILES
C1=CSC=C1
InChI
InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
InChIKey
YTPLMLYBLZKORZ-UHFFFAOYSA-N
Compound name
thiophene
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

19450
References

232235
Patents

84.00337 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.010646 111.2
[M+Na]+ 106.99259 120.5
[M-H]- 82.996094 115.6
[M+NH4]+ 102.03719 137.4
[M+K]+ 122.96653 119.6
[M+H-H2O]+ 67.000630 106.8
[M+HCOO]- 129.00157 132.9
[M+CH3COO]- 143.01722 159.6
[M+Na-2H]- 104.97804 116.7
[M]+ 84.002821 112.1
[M]- 84.003919 112.1
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