CID 99769826

2-fluoro-6-formylbenzoic acid

Structural Information

Molecular Formula
C8H5FO3
SMILES
C1=CC(=C(C(=C1)F)C(=O)O)C=O
InChI
InChI=1S/C8H5FO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-4H,(H,11,12)
InChIKey
UUESLKYWZWGMBV-UHFFFAOYSA-N
Compound name
2-fluoro-6-formylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

168.02228 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02956 128.0
[M+Na]+ 191.01150 137.5
[M-H]- 167.01500 129.8
[M+NH4]+ 186.05610 148.0
[M+K]+ 206.98544 135.4
[M+H-H2O]+ 151.01954 122.1
[M+HCOO]- 213.02048 150.4
[M+CH3COO]- 227.03613 175.8
[M+Na-2H]- 188.99695 133.2
[M]+ 168.02173 127.6
[M]- 168.02283 127.6
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