CID 4716596

[(2-chloro-6-fluorophenyl)methyl](propyl)amine

Structural Information

Molecular Formula
C10H13ClFN
SMILES
CCCNCC1=C(C=CC=C1Cl)F
InChI
InChI=1S/C10H13ClFN/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h3-5,13H,2,6-7H2,1H3
InChIKey
LBJTUTUDKUGWEZ-UHFFFAOYSA-N
Compound name
N-[(2-chloro-6-fluorophenyl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 140.9
[M+Na]+ 224.06127 149.7
[M-H]- 200.06477 143.2
[M+NH4]+ 219.10587 161.2
[M+K]+ 240.03521 145.0
[M+H-H2O]+ 184.06931 135.0
[M+HCOO]- 246.07025 160.5
[M+CH3COO]- 260.08590 188.0
[M+Na-2H]- 222.04672 146.3
[M]+ 201.07150 142.0
[M]- 201.07260 142.0
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