CID 75360928

2-(3-chloro-2-fluorophenyl)propan-2-amine hydrochloride

Structural Information

Molecular Formula
C9H11ClFN
SMILES
CC(C)(C1=C(C(=CC=C1)Cl)F)N
InChI
InChI=1S/C9H11ClFN/c1-9(2,12)6-4-3-5-7(10)8(6)11/h3-5H,12H2,1-2H3
InChIKey
UMPQIHFEWXPMRM-UHFFFAOYSA-N
Compound name
2-(3-chloro-2-fluorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

187.05641 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06369 137.0
[M+Na]+ 210.04563 146.8
[M-H]- 186.04913 139.4
[M+NH4]+ 205.09023 157.8
[M+K]+ 226.01957 142.4
[M+H-H2O]+ 170.05367 132.1
[M+HCOO]- 232.05461 154.8
[M+CH3COO]- 246.07026 184.6
[M+Na-2H]- 208.03108 142.6
[M]+ 187.05586 136.3
[M]- 187.05696 136.3
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

patents stripe