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]+ 260.998276 152.3
[M+Na]+ 282.980218 162.4
[M-H]- 258.983724 156.4
[M+NH4]+ 278.024823 172.9
[M+K]+ 298.954158 157.9
[M+H-H2O]+ 242.988260 149.4
[M+HCOO]- 304.989201 163.4
[M+CH3COO]- 319.004851 186.4
[M+Na-2H]- 280.965666 154.9
[M]+ 259.99045142 156.8
[M]- 259.99154858 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.