CID 155970860

Lithium(1+) 2-(difluoromethyl)-5-fluorobenzene-1-sulfinate

Structural Information

Molecular Formula
C7H5F3O2S
SMILES
C1=CC(=C(C=C1F)S(=O)O)C(F)F
InChI
InChI=1S/C7H5F3O2S/c8-4-1-2-5(7(9)10)6(3-4)13(11)12/h1-3,7H,(H,11,12)
InChIKey
ZVFUEDKCAXBTPP-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-5-fluorobenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.99623 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00351 133.5
[M+Na]+ 232.98545 142.7
[M-H]- 208.98895 132.6
[M+NH4]+ 228.03005 152.2
[M+K]+ 248.95939 139.5
[M+H-H2O]+ 192.99349 125.7
[M+HCOO]- 254.99443 147.1
[M+CH3COO]- 269.01008 182.0
[M+Na-2H]- 230.97090 133.6
[M]+ 209.99568 131.2
[M]- 209.99678 131.2
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.