CID 43700925

1154726-62-1

Structural Information

Molecular Formula
C10H8FNO3
SMILES
C=CC(=O)NC1=CC(=C(C=C1)F)C(=O)O
InChI
InChI=1S/C10H8FNO3/c1-2-9(13)12-6-3-4-8(11)7(5-6)10(14)15/h2-5H,1H2,(H,12,13)(H,14,15)
InChIKey
TVUGZFAXCRPGCZ-UHFFFAOYSA-N
Compound name
2-fluoro-5-(prop-2-enoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.04883 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05611 141.0
[M+Na]+ 232.03805 148.9
[M-H]- 208.04155 142.5
[M+NH4]+ 227.08265 158.9
[M+K]+ 248.01199 146.1
[M+H-H2O]+ 192.04609 134.4
[M+HCOO]- 254.04703 163.0
[M+CH3COO]- 268.06268 186.3
[M+Na-2H]- 230.02350 144.1
[M]+ 209.04828 139.1
[M]- 209.04938 139.1
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

No patent data available for this compound.