CID 139925950

3-(methylamino)benzene-1-sulfonylfluoride

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]+ 190.03325 133.7
[M+Na]+ 212.01519 142.9
[M-H]- 188.01869 136.7
[M+NH4]+ 207.05979 153.7
[M+K]+ 227.98913 140.0
[M+H-H2O]+ 172.02323 127.3
[M+HCOO]- 234.02417 152.7
[M+CH3COO]- 248.03982 180.5
[M+Na-2H]- 210.00064 139.3
[M]+ 189.02542 134.4
[M]- 189.02652 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.