CID 383661

Nsc672079

Structural Information

Molecular Formula
C16H17F6NO3
SMILES
CCC1(COC1)COC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H17F6NO3/c1-2-13(8-25-9-13)10-26-14(15(17,18)19,16(20,21)22)23-12(24)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,23,24)
InChIKey
AKFTVGCBIPTMHH-UHFFFAOYSA-N
Compound name
N-[2-[(3-ethyloxetan-3-yl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.11127 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11855 186.7
[M+Na]+ 408.10049 190.9
[M-H]- 384.10399 185.6
[M+NH4]+ 403.14509 191.8
[M+K]+ 424.07443 192.1
[M+H-H2O]+ 368.10853 170.7
[M+HCOO]- 430.10947 195.9
[M+CH3COO]- 444.12512 219.1
[M+Na-2H]- 406.08594 190.7
[M]+ 385.11072 188.5
[M]- 385.11182 188.5
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.