CID 22504886

1780234-78-7

Structural Information

Molecular Formula
C10H9ClO4S
SMILES
C1CC1(C2=CC=C(C=C2)S(=O)(=O)Cl)C(=O)O
InChI
InChI=1S/C10H9ClO4S/c11-16(14,15)8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
RIGVXWASGVZNEX-UHFFFAOYSA-N
Compound name
1-(4-chlorosulfonylphenyl)cyclopropane-1-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 145.2
[M+Na]+ 282.98022 155.6
[M-H]- 258.98372 151.9
[M+NH4]+ 278.02482 159.6
[M+K]+ 298.95416 151.4
[M+H-H2O]+ 242.98826 141.6
[M+HCOO]- 304.98920 157.5
[M+CH3COO]- 319.00485 188.5
[M+Na-2H]- 280.96567 150.4
[M]+ 259.99045 152.2
[M]- 259.99155 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