CID 15434553

4,5-difluoro-2-hydroxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

158.01793 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.025206 123.5
[M+Na]+ 181.007148 134.5
[M-H]- 157.010654 124.4
[M+NH4]+ 176.051753 144.4
[M+K]+ 196.981088 131.9
[M+H-H2O]+ 141.015190 117.2
[M+HCOO]- 203.016131 145.8
[M+CH3COO]- 217.031781 174.7
[M+Na-2H]- 178.992596 129.2
[M]+ 158.01738142 121.9
[M]- 158.01847858 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

No literature data available for this compound.

Patent stripe

patents stripe