CID 801723

505071-92-1

Structural Information

Molecular Formula
C10H9ClO4S
SMILES
C1CC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClO4S/c11-7-1-3-8(4-2-7)16(14,15)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
GAABDRSLTXUNQW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

259.991 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.998276 145.2
[M+Na]+ 282.980218 155.6
[M-H]- 258.983724 151.9
[M+NH4]+ 278.024823 159.6
[M+K]+ 298.954158 151.4
[M+H-H2O]+ 242.988260 141.6
[M+HCOO]- 304.989201 157.5
[M+CH3COO]- 319.004851 188.5
[M+Na-2H]- 280.965666 150.4
[M]+ 259.99045142 152.2
[M]- 259.99154858 152.2
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