CID 63068226

3-[(dimethylamino)methyl]-4-fluorobenzoic acid

Structural Information

Molecular Formula
C10H12FNO2
SMILES
CN(C)CC1=C(C=CC(=C1)C(=O)O)F
InChI
InChI=1S/C10H12FNO2/c1-12(2)6-8-5-7(10(13)14)3-4-9(8)11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKey
KHVPFKGFPVPONL-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-4-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0852 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09248 142.1
[M+Na]+ 220.07442 152.7
[M+NH4]+ 215.11902 149.1
[M+K]+ 236.04836 147.8
[M-H]- 196.07792 142.5
[M+Na-2H]- 218.05987 147.2
[M]+ 197.08465 143.4
[M]- 197.08575 143.4
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.