CID 28604518

4-(dimethylamino)-3-fluorobenzoic acid

Structural Information

Molecular Formula
C9H10FNO2
SMILES
CN(C)C1=C(C=C(C=C1)C(=O)O)F
InChI
InChI=1S/C9H10FNO2/c1-11(2)8-4-3-6(9(12)13)5-7(8)10/h3-5H,1-2H3,(H,12,13)
InChIKey
ALMADAASYUEHSC-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

183.06955 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.076826 135.3
[M+Na]+ 206.058768 143.5
[M-H]- 182.062274 138.3
[M+NH4]+ 201.103373 155.2
[M+K]+ 222.032708 142.6
[M+H-H2O]+ 166.066810 128.7
[M+HCOO]- 228.067751 158.5
[M+CH3COO]- 242.083401 186.1
[M+Na-2H]- 204.044216 139.4
[M]+ 183.06900142 135.0
[M]- 183.07009858 135.0
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