CID 126917

98358-90-8

Structural Information

Molecular Formula
C8H8FN3O3S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)F
InChI
InChI=1S/C8H8FN3O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,1-2H3
InChIKey
YZWANFXENNWOOR-UHFFFAOYSA-N
Compound name
7-fluoro-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

95
Patents

245.02704 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03432 146.9
[M+Na]+ 268.01626 159.4
[M-H]- 244.01976 151.2
[M+NH4]+ 263.06086 164.6
[M+K]+ 283.99020 158.4
[M+H-H2O]+ 228.02430 139.8
[M+HCOO]- 290.02524 165.3
[M+CH3COO]- 304.04089 192.8
[M+Na-2H]- 266.00171 153.5
[M]+ 245.02649 153.9
[M]- 245.02759 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe