CID 66523473

3-fluoro-5-(pentafluorosulfur)aniline

Structural Information

Molecular Formula
C6H5F6NS
SMILES
C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)N
InChI
InChI=1S/C6H5F6NS/c7-4-1-5(13)3-6(2-4)14(8,9,10,11)12/h1-3H,13H2
InChIKey
RFXWDLYDFAZNLO-UHFFFAOYSA-N
Compound name
3-fluoro-5-(pentafluoro-lambda6-sulfanyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

237.00468 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.01196 130.3
[M+Na]+ 259.99390 141.7
[M-H]- 235.99740 127.0
[M+NH4]+ 255.03850 148.6
[M+K]+ 275.96784 136.8
[M+H-H2O]+ 220.00194 120.8
[M+HCOO]- 282.00288 143.4
[M+CH3COO]- 296.01853 190.6
[M+Na-2H]- 257.97935 130.2
[M]+ 237.00413 122.7
[M]- 237.00523 122.7
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