CID 22286930

{ethyl[(perfluorodecyl)sulfonyl]amino}acetic acid

Structural Information

Molecular Formula
C14H8F21NO4S
SMILES
CCN(CC(=O)O)S(=O)(=O)C(C(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)(F)F)(F)F
InChI
InChI=1S/C14H8F21NO4S/c1-2-36(3-4(37)38)41(39,40)14(34,35)12(29,30)10(25,26)8(21,22)6(17,18)5(15,16)7(19,20)9(23,24)11(27,28)13(31,32)33/h2-3H2,1H3,(H,37,38)
InChIKey
JVFJQZWYIUNEHU-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

684.9839 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 685.99118 153.0
[M+Na]+ 707.97312 153.1
[M+NH4]+ 703.01772 153.1
[M+K]+ 723.94706 153.1
[M-H]- 683.97662 153.0
[M+Na-2H]- 705.95857 153.0
[M]+ 684.98335 153.1
[M]- 684.98445 153.1
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