CID 43754542

1218402-52-8

Structural Information

Molecular Formula
C11H11F2NO2
SMILES
C1CC1NC(C2=C(C=CC=C2F)F)C(=O)O
InChI
InChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)
InChIKey
LLCVJLSDVSYPMV-UHFFFAOYSA-N
Compound name
2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07579 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08307 139.1
[M+Na]+ 250.06501 147.7
[M-H]- 226.06851 143.0
[M+NH4]+ 245.10961 151.5
[M+K]+ 266.03895 143.6
[M+H-H2O]+ 210.07305 131.0
[M+HCOO]- 272.07399 159.7
[M+CH3COO]- 286.08964 193.7
[M+Na-2H]- 248.05046 142.2
[M]+ 227.07524 138.0
[M]- 227.07634 138.0
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

No patent data available for this compound.