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]+ 233.03906 144.8
[M+Na]+ 255.02100 152.5
[M-H]- 231.02450 147.5
[M+NH4]+ 250.06560 162.5
[M+K]+ 270.99494 149.7
[M+H-H2O]+ 215.02904 137.6
[M+HCOO]- 277.02998 163.8
[M+CH3COO]- 291.04563 189.3
[M+Na-2H]- 253.00645 149.5
[M]+ 232.03123 145.0
[M]- 232.03233 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.