CID 24721507

4-hydroxy-2-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H5F3O3
SMILES
C1=CC(=C(C=C1O)OC(F)(F)F)C=O
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)14-7-3-6(13)2-1-5(7)4-12/h1-4,13H
InChIKey
HPHHSFUXCMITFI-UHFFFAOYSA-N
Compound name
4-hydroxy-2-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

206.01907 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02635 135.3
[M+Na]+ 229.00829 145.3
[M-H]- 205.01179 134.5
[M+NH4]+ 224.05289 153.9
[M+K]+ 244.98223 142.9
[M+H-H2O]+ 189.01633 127.8
[M+HCOO]- 251.01727 154.8
[M+CH3COO]- 265.03292 181.1
[M+Na-2H]- 226.99374 141.1
[M]+ 206.01852 133.2
[M]- 206.01962 133.2
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