CID 82380088

1368134-86-4

Structural Information

Molecular Formula
C10H9ClO4S
SMILES
C1C(CC2=C1C=CC(=C2)S(=O)(=O)Cl)C(=O)O
InChI
InChI=1S/C10H9ClO4S/c11-16(14,15)9-2-1-6-3-8(10(12)13)4-7(6)5-9/h1-2,5,8H,3-4H2,(H,12,13)
InChIKey
YLDSIFMBUXXODJ-UHFFFAOYSA-N
Compound name
5-chlorosulfonyl-2,3-dihydro-1H-indene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.991 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.99828 152.3
[M+Na]+ 282.98022 162.4
[M-H]- 258.98372 156.4
[M+NH4]+ 278.02482 172.9
[M+K]+ 298.95416 157.9
[M+H-H2O]+ 242.98826 149.4
[M+HCOO]- 304.98920 163.4
[M+CH3COO]- 319.00485 186.4
[M+Na-2H]- 280.96567 154.9
[M]+ 259.99045 156.8
[M]- 259.99155 156.8
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

No patent data available for this compound.