CID 501100

62381-94-6

Structural Information

Molecular Formula
C12H10FNO2S
SMILES
C1=CC=[N+](C(=C1)S(=O)CC2=CC=C(C=C2)F)[O-]
InChI
InChI=1S/C12H10FNO2S/c13-11-6-4-10(5-7-11)9-17(16)12-3-1-2-8-14(12)15/h1-8H,9H2
InChIKey
QXYCQXJHYVFAIC-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methylsulfinyl]-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

251.04163 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04891 149.6
[M+Na]+ 274.03085 158.0
[M-H]- 250.03435 152.9
[M+NH4]+ 269.07545 164.7
[M+K]+ 290.00479 148.4
[M+H-H2O]+ 234.03889 145.9
[M+HCOO]- 296.03983 165.8
[M+CH3COO]- 310.05548 181.7
[M+Na-2H]- 272.01630 153.9
[M]+ 251.04108 147.6
[M]- 251.04218 147.6
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

patents stripe