CID 5079559

2-methyl-2,3-dihydrobenzo[b]thiophene-2-carboxylic acid 1,1-dioxide

Structural Information

Molecular Formula
C10H10O4S
SMILES
CC1(CC2=CC=CC=C2S1(=O)=O)C(=O)O
InChI
InChI=1S/C10H10O4S/c1-10(9(11)12)6-7-4-2-3-5-8(7)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)
InChIKey
NSWSKGNGXXLTLL-UHFFFAOYSA-N
Compound name
2-methyl-1,1-dioxo-3H-1-benzothiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

226.02998 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03726 146.1
[M+Na]+ 249.01920 156.4
[M+NH4]+ 244.06380 156.6
[M+K]+ 264.99314 148.0
[M-H]- 225.02270 146.1
[M+Na-2H]- 247.00465 152.4
[M]+ 226.02943 148.1
[M]- 226.03053 148.1
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