CID 63081934

1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-amine

Structural Information

Molecular Formula
C10H13ClFN
SMILES
CC(C)C(C1=C(C=C(C=C1)Cl)F)N
InChI
InChI=1S/C10H13ClFN/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,10H,13H2,1-2H3
InChIKey
OXSXHFABZGBSGL-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-fluorophenyl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.07933 141.6
[M+Na]+ 224.06127 150.0
[M-H]- 200.06477 143.7
[M+NH4]+ 219.10587 161.5
[M+K]+ 240.03521 145.9
[M+H-H2O]+ 184.06931 136.1
[M+HCOO]- 246.07025 158.7
[M+CH3COO]- 260.08590 189.0
[M+Na-2H]- 222.04672 143.6
[M]+ 201.07150 140.5
[M]- 201.07260 140.5
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.