CID 72232799

3-cyclopropoxy-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C10H9FO2
SMILES
C1CC1OC2=CC(=CC(=C2)C=O)F
InChI
InChI=1S/C10H9FO2/c11-8-3-7(6-12)4-10(5-8)13-9-1-2-9/h3-6,9H,1-2H2
InChIKey
JGBLYRUBWXGOJI-UHFFFAOYSA-N
Compound name
3-cyclopropyloxy-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.05865 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 132.6
[M+Na]+ 203.04787 143.5
[M-H]- 179.05137 139.4
[M+NH4]+ 198.09247 148.1
[M+K]+ 219.02181 140.4
[M+H-H2O]+ 163.05591 125.3
[M+HCOO]- 225.05685 156.8
[M+CH3COO]- 239.07250 184.3
[M+Na-2H]- 201.03332 138.9
[M]+ 180.05810 135.7
[M]- 180.05920 135.7
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

No patent data available for this compound.