CID 15268821

3-fluoro-5-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H5FO2
SMILES
C1=C(C=C(C=C1O)F)C=O
InChI
InChI=1S/C7H5FO2/c8-6-1-5(4-9)2-7(10)3-6/h1-4,10H
InChIKey
ZPFKVITWFGSOHH-UHFFFAOYSA-N
Compound name
3-fluoro-5-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

140.02736 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03464 121.5
[M+Na]+ 163.01658 131.5
[M-H]- 139.02008 123.4
[M+NH4]+ 158.06118 142.9
[M+K]+ 178.99052 129.3
[M+H-H2O]+ 123.02462 115.9
[M+HCOO]- 185.02556 144.9
[M+CH3COO]- 199.04121 170.7
[M+Na-2H]- 161.00203 128.5
[M]+ 140.02681 120.6
[M]- 140.02791 120.6
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