CID 162396488

Dtxsid201032452

Structural Information

Molecular Formula
C19H15F17N
SMILES
C[N+](C)(C)C1=CC=C(C=C1)CC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F
InChI
InChI=1S/C19H15F17N/c1-37(2,3)10-6-4-9(5-7-10)8-11(15(22,23)24)12(13(20,16(25,26)27)17(28,29)30)14(21,18(31,32)33)19(34,35)36/h4-7H,8H2,1-3H3/q+1
InChIKey
VNTNATPOTOVXJS-UHFFFAOYSA-N
Compound name
trimethyl-[4-[4,5,5,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pent-2-enyl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

580.0933 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.10058 206.5
[M+Na]+ 603.08252 215.6
[M-H]- 579.08602 216.3
[M+NH4]+ 598.12712 218.0
[M+K]+ 619.05646 220.8
[M+H-H2O]+ 563.09056 193.8
[M+HCOO]- 625.09150 228.3
[M+CH3COO]- 639.10715 248.0
[M+Na-2H]- 601.06797 203.9
[M]+ 580.09275 202.4
[M]- 580.09385 202.4
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.