CID 12572277

3-fluoro-2-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7FO2
SMILES
COC1=C(C=CC=C1F)C=O
InChI
InChI=1S/C8H7FO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5H,1H3
InChIKey
UMLOYMZBAUIGKF-UHFFFAOYSA-N
Compound name
3-fluoro-2-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

154.04301 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.050286 125.3
[M+Na]+ 177.032228 135.4
[M-H]- 153.035734 128.5
[M+NH4]+ 172.076833 146.9
[M+K]+ 193.006168 133.9
[M+H-H2O]+ 137.040270 119.4
[M+HCOO]- 199.041211 149.9
[M+CH3COO]- 213.056861 176.4
[M+Na-2H]- 175.017676 132.3
[M]+ 154.04246142 126.8
[M]- 154.04355858 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