CID 21081530

849217-48-7

Structural Information

Molecular Formula
C11H10FNO3
SMILES
C1CC1(C(=O)NC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-9(14)11(5-6-11)10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKey
PFMAFXYUHZDKPY-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

807
Patents

223.06447 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07175 142.3
[M+Na]+ 246.05369 151.1
[M-H]- 222.05719 147.7
[M+NH4]+ 241.09829 156.5
[M+K]+ 262.02763 148.3
[M+H-H2O]+ 206.06173 136.2
[M+HCOO]- 268.06267 164.0
[M+CH3COO]- 282.07832 190.1
[M+Na-2H]- 244.03914 147.5
[M]+ 223.06392 143.1
[M]- 223.06502 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe