CID 58755745

N-(4-acetyl-2-fluorophenyl)methanesulfonamide

Structural Information

Molecular Formula
C9H10FNO3S
SMILES
CC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)F
InChI
InChI=1S/C9H10FNO3S/c1-6(12)7-3-4-9(8(10)5-7)11-15(2,13)14/h3-5,11H,1-2H3
InChIKey
RLCQVLUTJPDRTK-UHFFFAOYSA-N
Compound name
N-(4-acetyl-2-fluorophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

231.03654 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04382 144.3
[M+Na]+ 254.02576 153.3
[M-H]- 230.02926 147.3
[M+NH4]+ 249.07036 162.6
[M+K]+ 269.99970 150.3
[M+H-H2O]+ 214.03380 137.7
[M+HCOO]- 276.03474 162.0
[M+CH3COO]- 290.05039 189.8
[M+Na-2H]- 252.01121 147.4
[M]+ 231.03599 146.2
[M]- 231.03709 146.2
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