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

13
Patents

187.05641 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.063686 137.0
[M+Na]+ 210.045628 146.8
[M-H]- 186.049134 139.4
[M+NH4]+ 205.090233 157.8
[M+K]+ 226.019568 142.4
[M+H-H2O]+ 170.053670 132.1
[M+HCOO]- 232.054611 154.8
[M+CH3COO]- 246.070261 184.6
[M+Na-2H]- 208.031076 142.6
[M]+ 187.05586142 136.3
[M]- 187.05695858 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