CID 43534530

2-(1-isothiocyanatoethyl)thiophene

Structural Information

Molecular Formula
C7H7NS2
SMILES
CC(C1=CC=CS1)N=C=S
InChI
InChI=1S/C7H7NS2/c1-6(8-5-9)7-3-2-4-10-7/h2-4,6H,1H3
InChIKey
FNULICTWRLOKEU-UHFFFAOYSA-N
Compound name
2-(1-isothiocyanatoethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.002 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.00928 135.4
[M+Na]+ 191.99122 145.3
[M+NH4]+ 187.03582 145.2
[M+K]+ 207.96516 136.7
[M-H]- 167.99472 138.3
[M+Na-2H]- 189.97667 140.2
[M]+ 169.00145 138.4
[M]- 169.00255 138.4
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.