CID 6435241

N-{[2-(trifluoromethyl)phenyl]methylidene}hydroxylamine

Structural Information

Molecular Formula
C8H5F3NO
SMILES
C1=CC=C(C(=C1)/C=N\[O-])C(F)(F)F
InChI
InChI=1S/C8H6F3NO/c9-8(10,11)7-4-2-1-3-6(7)5-12-13/h1-5,13H/p-1/b12-5-
InChIKey
GBZLIAANNYDSOB-XGICHPGQSA-M
Compound name
(Z)-N-oxido-1-[2-(trifluoromethyl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

40
Patents

188.03232 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03960 131.3
[M+Na]+ 211.02154 140.1
[M-H]- 187.02504 131.2
[M+NH4]+ 206.06614 150.8
[M+K]+ 226.99548 138.5
[M+H-H2O]+ 171.02958 125.5
[M+HCOO]- 233.03052 153.8
[M+CH3COO]- 247.04617 182.2
[M+Na-2H]- 209.00699 138.2
[M]+ 188.03177 126.6
[M]- 188.03287 126.6
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.