CID 11807055

36650-04-1

Structural Information

Molecular Formula
C6F6O2S
SMILES
C1(=C(C(=C(C(=C1F)F)S(=O)(=O)F)F)F)F
InChI
InChI=1S/C6F6O2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9
InChIKey
IIIRAVUZGLMAHO-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluorobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

249.95232 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.95960 134.0
[M+Na]+ 272.94154 147.9
[M-H]- 248.94504 131.8
[M+NH4]+ 267.98614 152.4
[M+K]+ 288.91548 143.4
[M+H-H2O]+ 232.94958 124.3
[M+HCOO]- 294.95052 146.8
[M+CH3COO]- 308.96617 191.7
[M+Na-2H]- 270.92699 134.5
[M]+ 249.95177 130.6
[M]- 249.95287 130.6
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