CID 72232955

3-cyclopropoxy-2-fluorobenzaldehyde

Structural Information

Molecular Formula
C10H9FO2
SMILES
C1CC1OC2=CC=CC(=C2F)C=O
InChI
InChI=1S/C10H9FO2/c11-10-7(6-12)2-1-3-9(10)13-8-4-5-8/h1-3,6,8H,4-5H2
InChIKey
WENHPJYXBPJCHG-UHFFFAOYSA-N
Compound name
3-cyclopropyloxy-2-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]+ 181.065926 132.6
[M+Na]+ 203.047868 143.5
[M-H]- 179.051374 139.4
[M+NH4]+ 198.092473 148.1
[M+K]+ 219.021808 140.4
[M+H-H2O]+ 163.055910 125.3
[M+HCOO]- 225.056851 156.8
[M+CH3COO]- 239.072501 184.3
[M+Na-2H]- 201.033316 138.9
[M]+ 180.05810142 135.7
[M]- 180.05919858 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.