CID 139925950

2758004-87-2

Structural Information

Molecular Formula
C7H8FNO2S
SMILES
CNC1=CC(=CC=C1)S(=O)(=O)F
InChI
InChI=1S/C7H8FNO2S/c1-9-6-3-2-4-7(5-6)12(8,10)11/h2-5,9H,1H3
InChIKey
XGSLSQKGZRCILA-UHFFFAOYSA-N
Compound name
3-(methylamino)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.02597 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.033246 133.7
[M+Na]+ 212.015188 142.9
[M-H]- 188.018694 136.7
[M+NH4]+ 207.059793 153.7
[M+K]+ 227.989128 140.0
[M+H-H2O]+ 172.023230 127.3
[M+HCOO]- 234.024171 152.7
[M+CH3COO]- 248.039821 180.5
[M+Na-2H]- 210.000636 139.3
[M]+ 189.02542142 134.4
[M]- 189.02651858 134.4
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.