CID 83412619

1-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H10FNO2
SMILES
C1CC1(C2=C(C=C(C=C2)N)F)C(=O)O
InChI
InChI=1S/C10H10FNO2/c11-8-5-6(12)1-2-7(8)10(3-4-10)9(13)14/h1-2,5H,3-4,12H2,(H,13,14)
InChIKey
MFGCALLWCRIDNM-UHFFFAOYSA-N
Compound name
1-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.06955 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.076826 134.9
[M+Na]+ 218.058768 145.1
[M-H]- 194.062274 140.3
[M+NH4]+ 213.103373 150.5
[M+K]+ 234.032708 141.8
[M+H-H2O]+ 178.066810 129.2
[M+HCOO]- 240.067751 156.9
[M+CH3COO]- 254.083401 186.3
[M+Na-2H]- 216.044216 140.2
[M]+ 195.06900142 134.7
[M]- 195.07009858 134.7
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

No patent data available for this compound.