CID 22493901

2-hydroxy-4-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C8H5F3O2
SMILES
C1=CC(=C(C=C1C(F)(F)F)O)C=O
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)6-2-1-5(4-12)7(13)3-6/h1-4,13H
InChIKey
YHYNJGHMBMXAFB-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

190.02417 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03145 141.9
[M+Na]+ 213.01339 151.4
[M+NH4]+ 208.05799 147.3
[M+K]+ 228.98733 146.6
[M-H]- 189.01689 138.3
[M+Na-2H]- 210.99884 145.7
[M]+ 190.02362 142.0
[M]- 190.02472 142.0
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