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

497
Patents

361.94708 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.954356 138.3
[M+Na]+ 384.936298 153.3
[M-H]- 360.939804 129.4
[M+NH4]+ 379.980903 161.3
[M+K]+ 400.910238 150.3
[M+H-H2O]+ 344.944340 132.0
[M+HCOO]- 406.945281 140.9
[M+CH3COO]- 420.960931 206.9
[M+Na-2H]- 382.921746 144.8
[M]+ 361.94653142 128.3
[M]- 361.94762858 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