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

8
Patents

210.06923 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.076506 139.1
[M+Na]+ 233.058448 148.8
[M-H]- 209.061954 144.4
[M+NH4]+ 228.103053 152.6
[M+K]+ 249.032388 145.3
[M+H-H2O]+ 193.066490 131.9
[M+HCOO]- 255.067431 160.8
[M+CH3COO]- 269.083081 187.5
[M+Na-2H]- 231.043896 143.4
[M]+ 210.06868142 141.7
[M]- 210.06977858 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