CID 137963791

3-methylquinoline-4-sulfonyl fluoride

Structural Information

Molecular Formula
C10H8FNO2S
SMILES
CC1=C(C2=CC=CC=C2N=C1)S(=O)(=O)F
InChI
InChI=1S/C10H8FNO2S/c1-7-6-12-9-5-3-2-4-8(9)10(7)15(11,13)14/h2-6H,1H3
InChIKey
XYKLQMZJTCPOQZ-UHFFFAOYSA-N
Compound name
3-methylquinoline-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.02597 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.033246 142.7
[M+Na]+ 248.015188 154.0
[M-H]- 224.018694 145.5
[M+NH4]+ 243.059793 161.6
[M+K]+ 263.989128 149.9
[M+H-H2O]+ 208.023230 135.9
[M+HCOO]- 270.024171 158.6
[M+CH3COO]- 284.039821 186.0
[M+Na-2H]- 246.000636 149.4
[M]+ 225.02542142 145.2
[M]- 225.02651858 145.2
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.