CID 155819326

2137818-26-7

Structural Information

Molecular Formula
C7H5FN2O3S
SMILES
C1=CC2=C(C=C1S(=O)(=O)F)NC(=O)N2
InChI
InChI=1S/C7H5FN2O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKey
HOXGCGPCGUEMFZ-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.00049 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00777 139.4
[M+Na]+ 238.98971 152.3
[M-H]- 214.99321 139.0
[M+NH4]+ 234.03431 157.8
[M+K]+ 254.96365 147.0
[M+H-H2O]+ 198.99775 133.6
[M+HCOO]- 260.99869 154.5
[M+CH3COO]- 275.01434 175.7
[M+Na-2H]- 236.97516 144.9
[M]+ 215.99994 140.7
[M]- 216.00104 140.7
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.