CID 60013227

3,4,5-trifluoro-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H3F3O2
SMILES
C1=C(C(=C(C(=C1F)F)F)O)C=O
InChI
InChI=1S/C7H3F3O2/c8-4-1-3(2-11)7(12)6(10)5(4)9/h1-2,12H
InChIKey
QHIGMBRBOJKVBR-UHFFFAOYSA-N
Compound name
3,4,5-trifluoro-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

176.00851 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.01579 125.6
[M+Na]+ 198.99773 137.6
[M-H]- 175.00123 125.5
[M+NH4]+ 194.04233 146.0
[M+K]+ 214.97167 134.5
[M+H-H2O]+ 159.00577 118.6
[M+HCOO]- 221.00671 146.8
[M+CH3COO]- 235.02236 178.7
[M+Na-2H]- 196.98318 130.0
[M]+ 176.00796 123.2
[M]- 176.00906 123.2
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