CID 28566824

[(2-chloro-4-fluorophenyl)methyl](cyclopropylmethyl)amine

Structural Information

Molecular Formula
C11H13ClFN
SMILES
C1CC1CNCC2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C11H13ClFN/c12-11-5-10(13)4-3-9(11)7-14-6-8-1-2-8/h3-5,8,14H,1-2,6-7H2
InChIKey
ACHYLPLFUTWDSK-UHFFFAOYSA-N
Compound name
N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.07205 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07933 137.8
[M+Na]+ 236.06127 147.7
[M-H]- 212.06477 143.9
[M+NH4]+ 231.10587 152.6
[M+K]+ 252.03521 142.3
[M+H-H2O]+ 196.06931 131.0
[M+HCOO]- 258.07025 157.9
[M+CH3COO]- 272.08590 192.4
[M+Na-2H]- 234.04672 143.7
[M]+ 213.07150 140.4
[M]- 213.07260 140.4
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.