CID 16227104

2-(1-oxo-1,2-dihydroisoquinolin-2-yl)ethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C11H10FNO3S
SMILES
C1=CC=C2C(=C1)C=CN(C2=O)CCS(=O)(=O)F
InChI
InChI=1S/C11H10FNO3S/c12-17(15,16)8-7-13-6-5-9-3-1-2-4-10(9)11(13)14/h1-6H,7-8H2
InChIKey
OOISJIKOVKNBEC-UHFFFAOYSA-N
Compound name
2-(1-oxoisoquinolin-2-yl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.03654 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04382 150.2
[M+Na]+ 278.02576 161.2
[M-H]- 254.02926 152.8
[M+NH4]+ 273.07036 167.7
[M+K]+ 293.99970 156.7
[M+H-H2O]+ 238.03380 143.0
[M+HCOO]- 300.03474 166.1
[M+CH3COO]- 314.05039 190.3
[M+Na-2H]- 276.01121 156.5
[M]+ 255.03599 153.8
[M]- 255.03709 153.8
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

No patent data available for this compound.