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]+ 438.99220 181.7
[M+Na]+ 460.97414 192.9
[M-H]- 436.97764 166.5
[M+NH4]+ 456.01874 189.3
[M+K]+ 476.94808 188.0
[M+H-H2O]+ 420.98218 166.0
[M+HCOO]- 482.98312 178.2
[M+CH3COO]- 496.99877 222.2
[M+Na-2H]- 458.95959 183.2
[M]+ 437.98437 159.5
[M]- 437.98547 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.