CID 71651839

3-hydroxy-5-(trifluoromethyl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

190.02417 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe