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

67
Patents

190.02417 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.031446 132.1
[M+Na]+ 213.013388 142.3
[M-H]- 189.016894 131.4
[M+NH4]+ 208.057993 151.5
[M+K]+ 228.987328 139.3
[M+H-H2O]+ 173.021430 125.0
[M+HCOO]- 235.022371 151.4
[M+CH3COO]- 249.038021 179.0
[M+Na-2H]- 210.998836 138.0
[M]+ 190.02362142 128.6
[M]- 190.02471858 128.6
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

patents stripe