CID 96952

3-amino-4-methoxyphenylsulphonyl fluoride

Structural Information

Molecular Formula
C7H8FNO3S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)F)N
InChI
InChI=1S/C7H8FNO3S/c1-12-7-3-2-5(4-6(7)9)13(8,10)11/h2-4H,9H2,1H3
InChIKey
SESLQGPHIQXYGF-UHFFFAOYSA-N
Compound name
3-amino-4-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

68
Patents

205.02089 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.028166 137.0
[M+Na]+ 228.010108 146.9
[M-H]- 204.013614 139.8
[M+NH4]+ 223.054713 156.3
[M+K]+ 243.984048 144.1
[M+H-H2O]+ 188.018150 130.7
[M+HCOO]- 250.019091 155.6
[M+CH3COO]- 264.034741 183.1
[M+Na-2H]- 225.995556 141.1
[M]+ 205.02034142 138.5
[M]- 205.02143858 138.5
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