CID 125454474

1h-1,3-benzodiazole-2-sulfonyl fluoride

Structural Information

Molecular Formula
C7H5FN2O2S
SMILES
C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)F
InChI
InChI=1S/C7H5FN2O2S/c8-13(11,12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
InChIKey
UHMGZCPRYPLLLN-UHFFFAOYSA-N
Compound name
1H-benzimidazole-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.00557 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.012846 136.1
[M+Na]+ 222.994788 148.7
[M-H]- 198.998294 136.8
[M+NH4]+ 218.039393 155.8
[M+K]+ 238.968728 144.4
[M+H-H2O]+ 183.002830 129.9
[M+HCOO]- 245.003771 152.5
[M+CH3COO]- 259.019421 175.7
[M+Na-2H]- 220.980236 142.6
[M]+ 200.00502142 138.2
[M]- 200.00611858 138.2
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.