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

152
Patents

152.02736 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.034636 123.8
[M+Na]+ 175.016578 134.2
[M-H]- 151.020084 127.0
[M+NH4]+ 170.061183 145.4
[M+K]+ 190.990518 132.0
[M+H-H2O]+ 135.024620 117.9
[M+HCOO]- 197.025561 148.6
[M+CH3COO]- 211.041211 175.5
[M+Na-2H]- 173.002026 130.8
[M]+ 152.02681142 124.5
[M]- 152.02790858 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