CID 76553

3107-18-4

Structural Information

Molecular Formula
C6HF11O3S
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HF11O3S/c7-1(8)2(9,10)4(13,14)6(17,21(18,19)20)5(15,16)3(1,11)12/h(H,18,19,20)
InChIKey
VFOJXEHRTNGBDB-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

275
Patents

361.94708 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.95436 181.3
[M+Na]+ 384.93630 181.7
[M+NH4]+ 379.98090 182.3
[M+K]+ 400.91024 177.1
[M-H]- 360.93980 175.5
[M+Na-2H]- 382.92175 181.0
[M]+ 361.94653 179.8
[M]- 361.94763 179.8
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