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 155.5
[M+Na]+ 276.10064 160.8
[M-H]- 252.10414 158.6
[M+NH4]+ 271.14524 171.0
[M+K]+ 292.07458 157.7
[M+H-H2O]+ 236.10868 147.6
[M+HCOO]- 298.10962 173.5
[M+CH3COO]- 312.12527 194.4
[M+Na-2H]- 274.08609 156.0
[M]+ 253.11087 149.4
[M]- 253.11197 149.4
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.