CID 16211001

N-[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzyloxycarbonyloxy]succinimide

Structural Information

Molecular Formula
C18H14F9NO5
SMILES
C1CC(=O)N(C1=O)OC(=O)OCC2=CC=C(C=C2)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H14F9NO5/c19-15(20,16(21,22)17(23,24)18(25,26)27)8-7-10-1-3-11(4-2-10)9-32-14(31)33-28-12(29)5-6-13(28)30/h1-4H,5-9H2
InChIKey
ZCRHOADSHVJCKU-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) [4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phenyl]methyl carbonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

495.0728 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.08008 202.1
[M+Na]+ 518.06202 209.6
[M-H]- 494.06552 196.3
[M+NH4]+ 513.10662 209.2
[M+K]+ 534.03596 205.7
[M+H-H2O]+ 478.07006 188.6
[M+HCOO]- 540.07100 206.3
[M+CH3COO]- 554.08665 233.4
[M+Na-2H]- 516.04747 201.2
[M]+ 495.07225 192.9
[M]- 495.07335 192.9
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.