CID 137951696

4-[(methylcarbamoyl)amino]benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C8H9FN2O3S
SMILES
CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)F
InChI
InChI=1S/C8H9FN2O3S/c1-10-8(12)11-6-2-4-7(5-3-6)15(9,13)14/h2-5H,1H3,(H2,10,11,12)
InChIKey
LPDHCHDPDJBFPW-UHFFFAOYSA-N
Compound name
4-(methylcarbamoylamino)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.03178 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03906 146.8
[M+Na]+ 255.02100 155.0
[M+NH4]+ 250.06560 152.6
[M+K]+ 270.99494 149.6
[M-H]- 231.02450 146.0
[M+Na-2H]- 253.00645 151.1
[M]+ 232.03123 147.7
[M]- 232.03233 147.7
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.