CID 23107063

2,3-difluoro-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4F2O2
SMILES
C1=CC(=C(C(=C1C=O)F)F)O
InChI
InChI=1S/C7H4F2O2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-3,11H
InChIKey
KTGPDDPEVRJSFY-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
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

No literature data available for this compound.

Patent stripe

patents stripe