CID 2779212

4-cyanophenylsulfur pentafluoride

Structural Information

Molecular Formula
C7H4F5NS
SMILES
C1=CC(=CC=C1C#N)S(F)(F)(F)(F)F
InChI
InChI=1S/C7H4F5NS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-4H
InChIKey
SGACKKUEROEDNX-UHFFFAOYSA-N
Compound name
4-(pentafluoro-lambda6-sulfanyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

228.99846 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.00574 128.9
[M+Na]+ 251.98768 141.3
[M-H]- 227.99118 127.5
[M+NH4]+ 247.03228 146.0
[M+K]+ 267.96162 137.4
[M+H-H2O]+ 211.99572 114.3
[M+HCOO]- 273.99666 140.0
[M+CH3COO]- 288.01231 198.2
[M+Na-2H]- 249.97313 130.6
[M]+ 228.99791 119.8
[M]- 228.99901 119.8
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