CID 50998489

203126-21-0

Structural Information

Molecular Formula
C7H7F5S
SMILES
CC1=CC=C(C=C1)S(F)(F)(F)(F)F
InChI
InChI=1S/C7H7F5S/c1-6-2-4-7(5-3-6)13(8,9,10,11)12/h2-5H,1H3
InChIKey
MFSRNICSILXXMS-UHFFFAOYSA-N
Compound name
pentafluoro-(4-methylphenyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

218.01886 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02614 145.6
[M+Na]+ 241.00808 153.1
[M+NH4]+ 236.05268 150.6
[M+K]+ 256.98202 146.5
[M-H]- 217.01158 141.7
[M+Na-2H]- 238.99353 148.5
[M]+ 218.01831 145.6
[M]- 218.01941 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe