CID 28604704

4-(cyclopropylmethoxy)-3-fluorobenzoic acid

Structural Information

Molecular Formula
C11H11FO3
SMILES
C1CC1COC2=C(C=C(C=C2)C(=O)O)F
InChI
InChI=1S/C11H11FO3/c12-9-5-8(11(13)14)3-4-10(9)15-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14)
InChIKey
QSUMQCBKOZDHNX-UHFFFAOYSA-N
Compound name
4-(cyclopropylmethoxy)-3-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

210.06923 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07651 139.1
[M+Na]+ 233.05845 148.8
[M-H]- 209.06195 144.4
[M+NH4]+ 228.10305 152.6
[M+K]+ 249.03239 145.3
[M+H-H2O]+ 193.06649 131.9
[M+HCOO]- 255.06743 160.8
[M+CH3COO]- 269.08308 187.5
[M+Na-2H]- 231.04390 143.4
[M]+ 210.06868 141.7
[M]- 210.06978 141.7
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

patents stripe