CID 137964052

6-chloro-1h-pyrrolo[2,3-b]pyridine-3-sulfonyl fluoride

Structural Information

Molecular Formula
C7H4ClFN2O2S
SMILES
C1=CC(=NC2=C1C(=CN2)S(=O)(=O)F)Cl
InChI
InChI=1S/C7H4ClFN2O2S/c8-6-2-1-4-5(14(9,12)13)3-10-7(4)11-6/h1-3H,(H,10,11)
InChIKey
LIQQNCHHFXNFJK-UHFFFAOYSA-N
Compound name
6-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.9666 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97388 141.7
[M+Na]+ 256.95582 155.7
[M-H]- 232.95932 142.7
[M+NH4]+ 252.00042 161.2
[M+K]+ 272.92976 149.9
[M+H-H2O]+ 216.96386 136.3
[M+HCOO]- 278.96480 153.4
[M+CH3COO]- 292.98045 180.7
[M+Na-2H]- 254.94127 147.1
[M]+ 233.96605 146.0
[M]- 233.96715 146.0
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.