CID 165845674

2757912-82-4

Structural Information

Molecular Formula
C8H6FNO3S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)F)C#N
InChI
InChI=1S/C8H6FNO3S/c1-13-8-3-2-7(14(9,11)12)4-6(8)5-10/h2-4H,1H3
InChIKey
IXWCIBKWJAGTNH-UHFFFAOYSA-N
Compound name
3-cyano-4-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00525 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01253 145.8
[M+Na]+ 237.99447 157.9
[M-H]- 213.99797 149.3
[M+NH4]+ 233.03907 163.4
[M+K]+ 253.96841 155.4
[M+H-H2O]+ 198.00251 133.4
[M+HCOO]- 260.00345 160.6
[M+CH3COO]- 274.01910 195.1
[M+Na-2H]- 235.97992 149.5
[M]+ 215.00470 144.1
[M]- 215.00580 144.1
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.