CID 139594525

Dicl-pflsa c8

Structural Information

Molecular Formula
C8HCl2F15O3S
SMILES
C(C(C(C(F)(F)F)(F)Cl)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)Cl)(F)F
InChI
InChI=1S/C8HCl2F15O3S/c9-1(11,3(13,14)5(17,18)2(10,12)7(21,22)23)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)
InChIKey
CGODWUGSMMVSOB-UHFFFAOYSA-N
Compound name
4,7-dichloro-1,1,2,2,3,3,4,5,5,6,6,7,8,8,8-pentadecafluorooctane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.8784 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.88568 182.5
[M+Na]+ 554.86762 182.1
[M+NH4]+ 549.91222 181.7
[M+K]+ 570.84156 181.2
[M-H]- 530.87112 179.6
[M+Na-2H]- 552.85307 180.8
[M]+ 531.87785 181.6
[M]- 531.87895 181.6
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

No patent data available for this compound.