CID 14698709

57666-46-3

Structural Information

Molecular Formula
C12H8F3NO2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)/C=N/O
InChI
InChI=1S/C12H8F3NO2/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(18-11)7-16-17/h1-7,17H/b16-7+
InChIKey
MAOLWMOVMYZMQJ-FRKPEAEDSA-N
Compound name
(NE)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05072 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05800 150.2
[M+Na]+ 278.03994 159.7
[M-H]- 254.04344 154.5
[M+NH4]+ 273.08454 167.6
[M+K]+ 294.01388 156.9
[M+H-H2O]+ 238.04798 141.5
[M+HCOO]- 300.04892 172.1
[M+CH3COO]- 314.06457 193.5
[M+Na-2H]- 276.02539 155.8
[M]+ 255.05017 148.2
[M]- 255.05127 148.2
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.