CID 22325230

161747-14-4

Structural Information

Molecular Formula
C8H5FO2
SMILES
C1=CC(=C(C(=C1)F)C=O)C=O
InChI
InChI=1S/C8H5FO2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-5H
InChIKey
RBGBDUCONFGBJG-UHFFFAOYSA-N
Compound name
3-fluorophthalaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

152.02736 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03464 123.8
[M+Na]+ 175.01658 134.2
[M-H]- 151.02008 127.0
[M+NH4]+ 170.06118 145.4
[M+K]+ 190.99052 132.0
[M+H-H2O]+ 135.02462 117.9
[M+HCOO]- 197.02556 148.6
[M+CH3COO]- 211.04121 175.5
[M+Na-2H]- 173.00203 130.8
[M]+ 152.02681 124.5
[M]- 152.02791 124.5
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

patents stripe