CID 55232396

1270614-28-2

Structural Information

Molecular Formula
C11H11ClFNO3
SMILES
CC(=O)N(C)C(C1=C(C=CC=C1Cl)F)C(=O)O
InChI
InChI=1S/C11H11ClFNO3/c1-6(15)14(2)10(11(16)17)9-7(12)4-3-5-8(9)13/h3-5,10H,1-2H3,(H,16,17)
InChIKey
DNDPWFMOXVRLDA-UHFFFAOYSA-N
Compound name
2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.04114 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04842 150.9
[M+Na]+ 282.03036 158.9
[M-H]- 258.03386 153.8
[M+NH4]+ 277.07496 168.4
[M+K]+ 298.00430 156.5
[M+H-H2O]+ 242.03840 145.2
[M+HCOO]- 304.03934 167.6
[M+CH3COO]- 318.05499 198.3
[M+Na-2H]- 280.01581 151.3
[M]+ 259.04059 153.1
[M]- 259.04169 153.1
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.