CID 3016206

40630-61-3

Structural Information

Molecular Formula
C12H10F17NO4S
SMILES
C(CO)N(CCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F17NO4S/c13-5(14,7(17,18)9(21,22)11(25,26)27)6(15,16)8(19,20)10(23,24)12(28,29)35(33,34)30(1-3-31)2-4-32/h31-32H,1-4H2
InChIKey
SSTHBHCRNGPPAI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2235
Patents

587.0059 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.01318 180.8
[M+Na]+ 609.99512 184.1
[M-H]- 585.99862 190.0
[M+NH4]+ 605.03972 190.5
[M+K]+ 625.96906 193.6
[M+H-H2O]+ 570.00316 167.9
[M+HCOO]- 632.00410 196.4
[M+CH3COO]- 646.01975 246.6
[M+Na-2H]- 607.98057 178.0
[M]+ 587.00535 179.8
[M]- 587.00645 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