CID 21966462

2,5-difluoro-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4F2O2
SMILES
C1=C(C(=CC(=C1F)O)F)C=O
InChI
InChI=1S/C7H4F2O2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-3,11H
InChIKey
FFPHRYLGIPAZBL-UHFFFAOYSA-N
Compound name
2,5-difluoro-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

158.01793 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02521 123.5
[M+Na]+ 181.00715 134.5
[M-H]- 157.01065 124.4
[M+NH4]+ 176.05175 144.4
[M+K]+ 196.98109 131.9
[M+H-H2O]+ 141.01519 117.2
[M+HCOO]- 203.01613 145.8
[M+CH3COO]- 217.03178 174.7
[M+Na-2H]- 178.99260 129.2
[M]+ 158.01738 121.9
[M]- 158.01848 121.9
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