CID 383643

Nsc672061

Structural Information

Molecular Formula
C19H29F3NO7PS
SMILES
CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)C1=CC=CC=C1)P(=O)(OCC(C)C)OCC(C)C
InChI
InChI=1S/C19H29F3NO7PS/c1-6-28-17(24)18(19(20,21)22,23-32(26,27)16-10-8-7-9-11-16)31(25,29-12-14(2)3)30-13-15(4)5/h7-11,14-15,23H,6,12-13H2,1-5H3
InChIKey
INQYKTFGHQSDRR-UHFFFAOYSA-N
Compound name
ethyl 2-(benzenesulfonamido)-2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

503.13544 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.14272 209.4
[M+Na]+ 526.12466 200.1
[M-H]- 502.12816 196.5
[M+NH4]+ 521.16926 203.8
[M+K]+ 542.09860 210.5
[M+H-H2O]+ 486.13270 197.4
[M+HCOO]- 548.13364 209.4
[M+CH3COO]- 562.14929 238.0
[M+Na-2H]- 524.11011 209.9
[M]+ 503.13489 194.3
[M]- 503.13599 194.3
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.