CID 112562764

2-(4-chloro-3-methoxyphenyl)-2-fluoroethan-1-amine

Structural Information

Molecular Formula
C9H11ClFNO
SMILES
COC1=C(C=CC(=C1)C(CN)F)Cl
InChI
InChI=1S/C9H11ClFNO/c1-13-9-4-6(8(11)5-12)2-3-7(9)10/h2-4,8H,5,12H2,1H3
InChIKey
PPIDSFKRRCDBKV-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methoxyphenyl)-2-fluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05132 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05860 139.9
[M+Na]+ 226.04054 148.9
[M-H]- 202.04404 142.1
[M+NH4]+ 221.08514 159.8
[M+K]+ 242.01448 145.1
[M+H-H2O]+ 186.04858 134.3
[M+HCOO]- 248.04952 158.6
[M+CH3COO]- 262.06517 187.1
[M+Na-2H]- 224.02599 143.7
[M]+ 203.05077 140.6
[M]- 203.05187 140.6
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.