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]+ 196.07683 134.9
[M+Na]+ 218.05877 145.1
[M-H]- 194.06227 140.3
[M+NH4]+ 213.10337 150.5
[M+K]+ 234.03271 141.8
[M+H-H2O]+ 178.06681 129.2
[M+HCOO]- 240.06775 156.9
[M+CH3COO]- 254.08340 186.3
[M+Na-2H]- 216.04422 140.2
[M]+ 195.06900 134.7
[M]- 195.07010 134.8
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.