CID 2774537

4-fluoro-2-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7FO2
SMILES
COC1=C(C=CC(=C1)F)C=O
InChI
InChI=1S/C8H7FO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChIKey
PTKRQIRPNNIORO-UHFFFAOYSA-N
Compound name
4-fluoro-2-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

405
Patents

154.04301 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05029 125.3
[M+Na]+ 177.03223 135.4
[M-H]- 153.03573 128.5
[M+NH4]+ 172.07683 146.9
[M+K]+ 193.00617 133.9
[M+H-H2O]+ 137.04027 119.4
[M+HCOO]- 199.04121 149.9
[M+CH3COO]- 213.05686 176.4
[M+Na-2H]- 175.01768 132.3
[M]+ 154.04246 126.8
[M]- 154.04356 126.8
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