CID 24799052

1-(phenylsulfonyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C9H10O3S
SMILES
C1CC1(O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C9H10O3S/c10-9(6-7-9)13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
FXNCQNXYJIXOGQ-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

198.03506 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04234 137.4
[M+Na]+ 221.02428 147.4
[M-H]- 197.02778 144.1
[M+NH4]+ 216.06888 153.4
[M+K]+ 236.99822 144.7
[M+H-H2O]+ 181.03232 132.6
[M+HCOO]- 243.03326 155.0
[M+CH3COO]- 257.04891 179.0
[M+Na-2H]- 219.00973 144.6
[M]+ 198.03451 141.6
[M]- 198.03561 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe