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]+ 184.07683 135.3
[M+Na]+ 206.05877 143.5
[M-H]- 182.06227 138.3
[M+NH4]+ 201.10337 155.2
[M+K]+ 222.03271 142.6
[M+H-H2O]+ 166.06681 128.7
[M+HCOO]- 228.06775 158.5
[M+CH3COO]- 242.08340 186.1
[M+Na-2H]- 204.04422 139.4
[M]+ 183.06900 135.0
[M]- 183.07010 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