CID 573773

Di(thiophen-3-yl)methanone

Structural Information

Molecular Formula
C9H6OS2
SMILES
C1=CSC=C1C(=O)C2=CSC=C2
InChI
InChI=1S/C9H6OS2/c10-9(7-1-3-11-5-7)8-2-4-12-6-8/h1-6H
InChIKey
RMMZGPSYPUIIRO-UHFFFAOYSA-N
Compound name
di(thiophen-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

193.98601 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.99329 140.9
[M+Na]+ 216.97523 152.3
[M-H]- 192.97873 149.3
[M+NH4]+ 212.01983 165.0
[M+K]+ 232.94917 148.8
[M+H-H2O]+ 176.98327 136.3
[M+HCOO]- 238.98421 158.8
[M+CH3COO]- 252.99986 155.9
[M+Na-2H]- 214.96068 140.6
[M]+ 193.98546 145.3
[M]- 193.98656 145.3
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