CID 61890

29311-67-9

Structural Information

Molecular Formula
C7HF13O5S
SMILES
C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F)(F)F)F
InChI
InChI=1S/C7HF13O5S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23/h(H,21,22,23)
InChIKey
AUUAIQGEFIEHRO-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1034
Patents

443.93372 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.94100 157.3
[M+Na]+ 466.92294 162.2
[M-H]- 442.92644 163.3
[M+NH4]+ 461.96754 166.9
[M+K]+ 482.89688 166.1
[M+H-H2O]+ 426.93098 157.3
[M+HCOO]- 488.93192 174.3
[M+CH3COO]- 502.94757 218.9
[M+Na-2H]- 464.90839 172.8
[M]+ 443.93317 157.1
[M]- 443.93427 157.1
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