CID 79357505

2-fluoro-2-(4-formylphenoxy)acetic acid

Structural Information

Molecular Formula
C9H7FO4
SMILES
C1=CC(=CC=C1C=O)OC(C(=O)O)F
InChI
InChI=1S/C9H7FO4/c10-8(9(12)13)14-7-3-1-6(5-11)2-4-7/h1-5,8H,(H,12,13)
InChIKey
YPLPNIWBGMMTTI-UHFFFAOYSA-N
Compound name
2-fluoro-2-(4-formylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03284 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.040116 136.5
[M+Na]+ 221.022058 144.3
[M-H]- 197.025564 137.8
[M+NH4]+ 216.066663 154.8
[M+K]+ 236.995998 143.0
[M+H-H2O]+ 181.030100 130.0
[M+HCOO]- 243.031041 157.8
[M+CH3COO]- 257.046691 180.7
[M+Na-2H]- 219.007506 140.6
[M]+ 198.03229142 136.9
[M]- 198.03338858 136.9
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.