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

13
Patents

198.03284 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.040116 134.7
[M+Na]+ 221.022058 144.7
[M-H]- 197.025564 136.7
[M+NH4]+ 216.066663 153.8
[M+K]+ 236.995998 143.0
[M+H-H2O]+ 181.030100 128.7
[M+HCOO]- 243.031041 157.1
[M+CH3COO]- 257.046691 182.2
[M+Na-2H]- 219.007506 138.8
[M]+ 198.03229142 136.6
[M]- 198.03338858 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