CID 59346880

871657-78-2

Structural Information

Molecular Formula
C9H9FO2S
SMILES
C1CC1S(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C9H9FO2S/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1-4,9H,5-6H2
InChIKey
RDAGREFNZPWLGK-UHFFFAOYSA-N
Compound name
1-cyclopropylsulfonyl-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

200.03073 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03801 133.6
[M+Na]+ 223.01995 144.3
[M-H]- 199.02345 140.4
[M+NH4]+ 218.06455 148.6
[M+K]+ 238.99389 140.7
[M+H-H2O]+ 183.02799 126.6
[M+HCOO]- 245.02893 151.8
[M+CH3COO]- 259.04458 183.6
[M+Na-2H]- 221.00540 138.6
[M]+ 200.03018 136.9
[M]- 200.03128 136.9
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