CID 9582153

4-(trifluoromethoxy)benzaldoxime

Structural Information

Molecular Formula
C8H6F3NO2
SMILES
C1=CC(=CC=C1/C=N/O)OC(F)(F)F
InChI
InChI=1S/C8H6F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)5-12-13/h1-5,13H/b12-5+
InChIKey
SFLMISFBFTUVTD-LFYBBSHMSA-N
Compound name
(NE)-N-[[4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

205.03506 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.042336 136.5
[M+Na]+ 228.024278 145.4
[M-H]- 204.027784 136.7
[M+NH4]+ 223.068883 155.4
[M+K]+ 243.998218 143.2
[M+H-H2O]+ 188.032320 128.3
[M+HCOO]- 250.033261 158.4
[M+CH3COO]- 264.048911 184.7
[M+Na-2H]- 226.009726 143.8
[M]+ 205.03451142 133.7
[M]- 205.03560858 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe