CID 43443200

2-[(ethylcarbamoyl)amino]-6-fluorobenzoic acid

Structural Information

Molecular Formula
C10H11FN2O3
SMILES
CCNC(=O)NC1=C(C(=CC=C1)F)C(=O)O
InChI
InChI=1S/C10H11FN2O3/c1-2-12-10(16)13-7-5-3-4-6(11)8(7)9(14)15/h3-5H,2H2,1H3,(H,14,15)(H2,12,13,16)
InChIKey
DNKWITUQMVGRPV-UHFFFAOYSA-N
Compound name
2-(ethylcarbamoylamino)-6-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.07536 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08264 146.9
[M+Na]+ 249.06458 153.6
[M-H]- 225.06808 148.3
[M+NH4]+ 244.10918 163.8
[M+K]+ 265.03852 151.5
[M+H-H2O]+ 209.07262 139.6
[M+HCOO]- 271.07356 169.7
[M+CH3COO]- 285.08921 191.7
[M+Na-2H]- 247.05003 150.1
[M]+ 226.07481 144.8
[M]- 226.07591 144.8
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.