CID 155143430

3-fluoro-5-formyl-4-methoxybenzoic acid

Structural Information

Molecular Formula
C9H7FO4
SMILES
COC1=C(C=C(C=C1F)C(=O)O)C=O
InChI
InChI=1S/C9H7FO4/c1-14-8-6(4-11)2-5(9(12)13)3-7(8)10/h2-4H,1H3,(H,12,13)
InChIKey
VDKIGPZUWZVECP-UHFFFAOYSA-N
Compound name
3-fluoro-5-formyl-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

198.03284 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04012 134.7
[M+Na]+ 221.02206 144.7
[M-H]- 197.02556 136.7
[M+NH4]+ 216.06666 153.8
[M+K]+ 236.99600 143.0
[M+H-H2O]+ 181.03010 128.7
[M+HCOO]- 243.03104 157.1
[M+CH3COO]- 257.04669 182.2
[M+Na-2H]- 219.00751 138.8
[M]+ 198.03229 136.6
[M]- 198.03339 136.6
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