CID 74892427

2-fluoro-3-formylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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

No literature data available for this compound.

Patent stripe

patents stripe