CID 50998489

P-tolylsulfur pentafluoride

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

210
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 127.8
[M+Na]+ 241.00808 138.8
[M-H]- 217.01158 126.1
[M+NH4]+ 236.05268 147.4
[M+K]+ 256.98202 134.8
[M+H-H2O]+ 201.01612 119.3
[M+HCOO]- 263.01706 141.4
[M+CH3COO]- 277.03271 185.5
[M+Na-2H]- 238.99353 129.1
[M]+ 218.01831 123.1
[M]- 218.01941 123.1
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