CID 76847835

2-hydroxy-4-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H5F3O3
SMILES
C1=CC(=C(C=C1OC(F)(F)F)O)C=O
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)14-6-2-1-5(4-12)7(13)3-6/h1-4,13H
InChIKey
DFFYWNFXELSYRE-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

206.01907 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe