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
2
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 164.9
[M+Na]+ 554.86762 168.9
[M-H]- 530.87112 173.0
[M+NH4]+ 549.91222 174.7
[M+K]+ 570.84156 177.7
[M+H-H2O]+ 514.87566 168.3
[M+HCOO]- 576.87660 186.3
[M+CH3COO]- 590.89225 231.8
[M+Na-2H]- 552.85307 186.6
[M]+ 531.87785 172.0
[M]- 531.87895 172.0
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.