CID 163201608

Dehydroxy-tfhfese

Structural Information

Molecular Formula

C₇H₅F₁₀OS

SMILES

[CH2]CSC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F

InChI

InChI=1S/C7H5F10OS/c1-2-19-4(9,10)3(8)18-7(16,17)5(11,12)6(13,14)15/h3H,1-2H2

InChIKey

PUJWVXUDMXVDKW-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 326.99014 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	327.997416	156.2
[M+Na]+	349.979358	164.1
[M-H]-	325.982864	144.3
[M+NH4]+	345.023963	169.8
[M+K]+	365.953298	161.4
[M+H-H2O]+	309.987400	143.6
[M+HCOO]-	371.988341	157.1
[M+CH3COO]-	386.003991	206.8
[M+Na-2H]-	347.964806	156.1
[M]+	326.98959142	144.9
[M]-	326.99068858	144.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.