CID 135705526

117983-35-4

Structural Information

Molecular Formula
C15H17F3N3O2
SMILES
C[N+]1=C(N(C=C1)COCCC2=CC=CC=C2C(F)(F)F)/C=N/O
InChI
InChI=1S/C15H16F3N3O2/c1-20-7-8-21(14(20)10-19-22)11-23-9-6-12-4-2-3-5-13(12)15(16,17)18/h2-5,7-8,10H,6,9,11H2,1H3/p+1
InChIKey
QJQVUUMUYYLEQB-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethoxymethyl]imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.1273 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13458 173.2
[M+Na]+ 351.11652 181.6
[M-H]- 327.12002 174.1
[M+NH4]+ 346.16112 186.0
[M+K]+ 367.09046 171.5
[M+H-H2O]+ 311.12456 164.6
[M+HCOO]- 373.12550 191.8
[M+CH3COO]- 387.14115 202.0
[M+Na-2H]- 349.10197 178.4
[M]+ 328.12675 171.6
[M]- 328.12785 171.6
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.