CID 91670311

3-methylpyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula
C6H6FNO2S
SMILES
CC1=C(C=CN=C1)S(=O)(=O)F
InChI
InChI=1S/C6H6FNO2S/c1-5-4-8-3-2-6(5)11(7,9)10/h2-4H,1H3
InChIKey
NIHPLOBDJIXVGU-UHFFFAOYSA-N
Compound name
3-methylpyridine-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.01033 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.01761 129.4
[M+Na]+ 197.99955 140.1
[M-H]- 174.00305 131.4
[M+NH4]+ 193.04415 149.1
[M+K]+ 213.97349 137.5
[M+H-H2O]+ 158.00759 123.0
[M+HCOO]- 220.00853 146.6
[M+CH3COO]- 234.02418 175.3
[M+Na-2H]- 195.98500 135.1
[M]+ 175.00978 131.1
[M]- 175.01088 131.1
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.