CID 7021593

4-hydroxy-3-(trifluoromethyl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
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 132.1
[M+Na]+ 213.01339 142.3
[M-H]- 189.01689 131.4
[M+NH4]+ 208.05799 151.5
[M+K]+ 228.98733 139.3
[M+H-H2O]+ 173.02143 125.0
[M+HCOO]- 235.02237 151.4
[M+CH3COO]- 249.03802 179.0
[M+Na-2H]- 210.99884 138.0
[M]+ 190.02362 128.6
[M]- 190.02472 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