CID 7131778

874595-08-1

Structural Information

Molecular Formula
C12H13ClFNO
SMILES
C1CC1N(CC2=CC=CC=C2F)C(=O)CCl
InChI
InChI=1S/C12H13ClFNO/c13-7-12(16)15(10-5-6-10)8-9-3-1-2-4-11(9)14/h1-4,10H,5-8H2
InChIKey
FHACDHUPEDIQBA-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.06697 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07425 145.8
[M+Na]+ 264.05619 154.6
[M-H]- 240.05969 152.9
[M+NH4]+ 259.10079 159.7
[M+K]+ 280.03013 150.4
[M+H-H2O]+ 224.06423 138.4
[M+HCOO]- 286.06517 165.5
[M+CH3COO]- 300.08082 198.7
[M+Na-2H]- 262.04164 149.8
[M]+ 241.06642 149.7
[M]- 241.06752 149.7
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.