CID 17770161

75321-85-6

Structural Information

Molecular Formula
C8H7FO
SMILES
C1=CC=C(C(=C1)CC=O)F
InChI
InChI=1S/C8H7FO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5H2
InChIKey
NSEOYYODXJXMMP-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

371
Patents

138.0481 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.055376 122.8
[M+Na]+ 161.037318 131.9
[M-H]- 137.040824 125.6
[M+NH4]+ 156.081923 144.8
[M+K]+ 177.011258 129.9
[M+H-H2O]+ 121.045360 116.8
[M+HCOO]- 183.046301 147.1
[M+CH3COO]- 197.061951 173.3
[M+Na-2H]- 159.022766 130.5
[M]+ 138.04755142 122.4
[M]- 138.04864858 122.4
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