CID 383642

Nsc672060

Structural Information

Molecular Formula
C19H29F3NO7PS
SMILES
CCCCOP(=O)(C(C(=O)OCC)(C(F)(F)F)NS(=O)(=O)C1=CC=CC=C1)OCCCC
InChI
InChI=1S/C19H29F3NO7PS/c1-4-7-14-29-31(25,30-15-8-5-2)18(19(20,21)22,17(24)28-6-3)23-32(26,27)16-12-10-9-11-13-16/h9-13,23H,4-8,14-15H2,1-3H3
InChIKey
ACHUBZWZVFDAMN-UHFFFAOYSA-N
Compound name
ethyl 2-(benzenesulfonamido)-2-dibutoxyphosphoryl-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.13544 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.14272 212.7
[M+Na]+ 526.12466 214.8
[M-H]- 502.12816 192.1
[M+NH4]+ 521.16926 199.4
[M+K]+ 542.09860 212.9
[M+H-H2O]+ 486.13270 200.0
[M+HCOO]- 548.13364 212.7
[M+CH3COO]- 562.14929 236.6
[M+Na-2H]- 524.11011 214.6
[M]+ 503.13489 192.5
[M]- 503.13599 192.5
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.