CID 53626261

2-amino-5-(cyclohexyloxy)-4-fluorobenzoic acid

Structural Information

Molecular Formula
C13H16FNO3
SMILES
C1CCC(CC1)OC2=C(C=C(C(=C2)C(=O)O)N)F
InChI
InChI=1S/C13H16FNO3/c14-10-7-11(15)9(13(16)17)6-12(10)18-8-4-2-1-3-5-8/h6-8H,1-5,15H2,(H,16,17)
InChIKey
JBCLCEDFJGXUSY-UHFFFAOYSA-N
Compound name
2-amino-5-cyclohexyloxy-4-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11142 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11870 157.2
[M+Na]+ 276.10064 166.7
[M+NH4]+ 271.14524 163.8
[M+K]+ 292.07458 161.7
[M-H]- 252.10414 158.8
[M+Na-2H]- 274.08609 161.7
[M]+ 253.11087 158.6
[M]- 253.11197 158.6
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

No patent data available for this compound.