CID 62106

S-(2,5-dimethyl-3-furanyl) 2-furancarbothioate

Structural Information

Molecular Formula
C11H10O3S
SMILES
CC1=CC(=C(O1)C)SC(=O)C2=CC=CO2
InChI
InChI=1S/C11H10O3S/c1-7-6-10(8(2)14-7)15-11(12)9-4-3-5-13-9/h3-6H,1-2H3
InChIKey
IHJDHYVSIRCWIT-UHFFFAOYSA-N
Compound name
S-(2,5-dimethylfuran-3-yl) furan-2-carbothioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

51
Patents

222.03506 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04234 146.9
[M+Na]+ 245.02428 158.4
[M-H]- 221.02778 157.0
[M+NH4]+ 240.06888 167.5
[M+K]+ 260.99822 158.3
[M+H-H2O]+ 205.03232 142.9
[M+HCOO]- 267.03326 168.5
[M+CH3COO]- 281.04891 184.7
[M+Na-2H]- 243.00973 148.5
[M]+ 222.03451 155.3
[M]- 222.03561 155.3
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