CID 121553281

2-(4-methylphenyl)ethene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C9H9FO2S
SMILES
CC1=CC=C(C=C1)/C=C/S(=O)(=O)F
InChI
InChI=1S/C9H9FO2S/c1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-7H,1H3/b7-6+
InChIKey
RVGPUPOFFYNUAC-VOTSOKGWSA-N
Compound name
(E)-2-(4-methylphenyl)ethenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

200.03073 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03801 137.5
[M+Na]+ 223.01995 147.2
[M-H]- 199.02345 140.5
[M+NH4]+ 218.06455 157.5
[M+K]+ 238.99389 143.4
[M+H-H2O]+ 183.02799 131.4
[M+HCOO]- 245.02893 155.2
[M+CH3COO]- 259.04458 180.1
[M+Na-2H]- 221.00540 141.7
[M]+ 200.03018 139.0
[M]- 200.03128 139.0
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