CID 383546

Nsc671964

Structural Information

Molecular Formula
C18H32F6NO5P
SMILES
CCCCCCOP(=O)(C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC)OCCCCCC
InChI
InChI=1S/C18H32F6NO5P/c1-4-7-9-11-13-29-31(27,30-14-12-10-8-5-2)16(17(19,20)21,18(22,23)24)25-15(26)28-6-3/h4-14H2,1-3H3,(H,25,26)
InChIKey
QISVNAHJMGYCHL-UHFFFAOYSA-N
Compound name
ethyl N-(2-dihexoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.19223 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.19951 199.4
[M+Na]+ 510.18145 205.7
[M-H]- 486.18495 200.7
[M+NH4]+ 505.22605 206.7
[M+K]+ 526.15539 205.1
[M+H-H2O]+ 470.18949 186.9
[M+HCOO]- 532.19043 215.5
[M+CH3COO]- 546.20608 238.9
[M+Na-2H]- 508.16690 189.0
[M]+ 487.19168 196.0
[M]- 487.19278 196.0
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.