CID 76553

Perfluorocyclohexane sulfonic acid

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
3
Annotation Hits

0
References

486
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 138.3
[M+Na]+ 384.93630 153.3
[M-H]- 360.93980 129.4
[M+NH4]+ 379.98090 161.3
[M+K]+ 400.91024 150.3
[M+H-H2O]+ 344.94434 132.0
[M+HCOO]- 406.94528 140.9
[M+CH3COO]- 420.96093 206.9
[M+Na-2H]- 382.92175 144.8
[M]+ 361.94653 128.3
[M]- 361.94763 128.3
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