CID 137951696

2173999-58-9

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]+ 233.039056 144.8
[M+Na]+ 255.020998 152.5
[M-H]- 231.024504 147.5
[M+NH4]+ 250.065603 162.5
[M+K]+ 270.994938 149.7
[M+H-H2O]+ 215.029040 137.6
[M+HCOO]- 277.029981 163.8
[M+CH3COO]- 291.045631 189.3
[M+Na-2H]- 253.006446 149.5
[M]+ 232.03123142 145.0
[M]- 232.03232858 145.0
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.