CID 59295093

2-fluoro-4-(methoxycarbonyl)benzoic acid

Structural Information

Molecular Formula
C9H7FO4
SMILES
COC(=O)C1=CC(=C(C=C1)C(=O)O)F
InChI
InChI=1S/C9H7FO4/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,1H3,(H,11,12)
InChIKey
XRXCBKITDLPTEF-UHFFFAOYSA-N
Compound name
2-fluoro-4-methoxycarbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

63
Patents

198.03284 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04012 135.8
[M+Na]+ 221.02206 144.6
[M-H]- 197.02556 137.5
[M+NH4]+ 216.06666 154.5
[M+K]+ 236.99600 143.4
[M+H-H2O]+ 181.03010 129.6
[M+HCOO]- 243.03104 157.1
[M+CH3COO]- 257.04669 181.2
[M+Na-2H]- 219.00751 139.2
[M]+ 198.03229 136.5
[M]- 198.03339 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe