CID 3680768

Thiophene-2-carboxylic anhydride

Structural Information

Molecular Formula
C10H6O3S2
SMILES
C1=CSC(=C1)C(=O)OC(=O)C2=CC=CS2
InChI
InChI=1S/C10H6O3S2/c11-9(7-3-1-5-14-7)13-10(12)8-4-2-6-15-8/h1-6H
InChIKey
BKBCDDYQJQGMNX-UHFFFAOYSA-N
Compound name
thiophene-2-carbonyl thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

237.97583 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98311 153.8
[M+Na]+ 260.96505 164.2
[M-H]- 236.96855 162.0
[M+NH4]+ 256.00965 175.8
[M+K]+ 276.93899 161.3
[M+H-H2O]+ 220.97309 148.9
[M+HCOO]- 282.97403 170.9
[M+CH3COO]- 296.98968 183.5
[M+Na-2H]- 258.95050 152.4
[M]+ 237.97528 159.8
[M]- 237.97638 159.8
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