CID 17833009

935447-39-5

Structural Information

Molecular Formula
C6H5FO2S
SMILES
C1=CC(=CC(=C1)S(=O)O)F
InChI
InChI=1S/C6H5FO2S/c7-5-2-1-3-6(4-5)10(8)9/h1-4H,(H,8,9)
InChIKey
SEFXPGUSSHQBKV-UHFFFAOYSA-N
Compound name
3-fluorobenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

159.99944 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.006716 125.1
[M+Na]+ 182.988658 134.4
[M-H]- 158.992164 126.9
[M+NH4]+ 178.033263 145.9
[M+K]+ 198.962598 131.7
[M+H-H2O]+ 142.996700 119.3
[M+HCOO]- 204.997641 142.4
[M+CH3COO]- 219.013291 171.4
[M+Na-2H]- 180.974106 128.7
[M]+ 159.99889142 125.1
[M]- 159.99998858 125.1
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

patents stripe