CID 587250

3-fluoro-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H5FO2
SMILES
C1=CC(=C(C=C1C=O)F)O
InChI
InChI=1S/C7H5FO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
InChIKey
QSBHJTCAPWOIIE-UHFFFAOYSA-N
Compound name
3-fluoro-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1199
Patents

140.02736 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe