CID 16227104

878466-25-2

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]+ 256.043816 150.2
[M+Na]+ 278.025758 161.2
[M-H]- 254.029264 152.8
[M+NH4]+ 273.070363 167.7
[M+K]+ 293.999698 156.7
[M+H-H2O]+ 238.033800 143.0
[M+HCOO]- 300.034741 166.1
[M+CH3COO]- 314.050391 190.3
[M+Na-2H]- 276.011206 156.5
[M]+ 255.03599142 153.8
[M]- 255.03708858 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.