CID 45791784

7-(chlorosulfonyl)-2,3-dihydro-1h-indene-5-carboxylic acid

Structural Information

Molecular Formula
C10H9ClO4S
SMILES
C1CC2=C(C1)C(=CC(=C2)C(=O)O)S(=O)(=O)Cl
InChI
InChI=1S/C10H9ClO4S/c11-16(14,15)9-5-7(10(12)13)4-6-2-1-3-8(6)9/h4-5H,1-3H2,(H,12,13)
InChIKey
WUAURUXLBQZWSG-UHFFFAOYSA-N
Compound name
7-chlorosulfonyl-2,3-dihydro-1H-indene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.991 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.99828 152.5
[M+Na]+ 282.98022 163.0
[M+NH4]+ 278.02482 160.1
[M+K]+ 298.95416 158.3
[M-H]- 258.98372 152.0
[M+Na-2H]- 280.96567 155.4
[M]+ 259.99045 154.4
[M]- 259.99155 154.4
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

patents stripe