CID 62649473

2-(cyclopropylamino)-3-fluorobenzoic acid

Structural Information

Molecular Formula
C10H10FNO2
SMILES
C1CC1NC2=C(C=CC=C2F)C(=O)O
InChI
InChI=1S/C10H10FNO2/c11-8-3-1-2-7(10(13)14)9(8)12-6-4-5-6/h1-3,6,12H,4-5H2,(H,13,14)
InChIKey
GVGJJOXOPUCSPJ-UHFFFAOYSA-N
Compound name
2-(cyclopropylamino)-3-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06955 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07683 142.4
[M+Na]+ 218.05877 154.1
[M+NH4]+ 213.10337 150.2
[M+K]+ 234.03271 150.4
[M-H]- 194.06227 150.6
[M+Na-2H]- 216.04422 150.7
[M]+ 195.06900 147.2
[M]- 195.07010 147.2
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.