CID 2734943

5-fluoro-2-methoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

588
Patents

154.04301 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe