CID 139595180

Pfnhcs m+n+p=6

Structural Information

Molecular Formula
C9HF15N2O
SMILES
C1(=C(N=C(N1)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)OC(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9HF15N2O/c10-4(7(16,17)18,6(14,15)8(19,20)21)3-25-1(5(11,12)13)2(26-3)27-9(22,23)24/h(H,25,26)
InChIKey
FUMZGWUCPMYRGR-UHFFFAOYSA-N
Compound name
2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

437.98492 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.992196 181.7
[M+Na]+ 460.974138 192.9
[M-H]- 436.977644 166.5
[M+NH4]+ 456.018743 189.3
[M+K]+ 476.948078 188.0
[M+H-H2O]+ 420.982180 166.0
[M+HCOO]- 482.983121 178.2
[M+CH3COO]- 496.998771 222.2
[M+Na-2H]- 458.959586 183.2
[M]+ 437.98437142 159.5
[M]- 437.98546858 159.5
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.