CID 4720324

N-[(2-chloro-6-fluorophenyl)methyl]cyclopropanamine

Structural Information

Molecular Formula
C10H11ClFN
SMILES
C1CC1NCC2=C(C=CC=C2Cl)F
InChI
InChI=1S/C10H11ClFN/c11-9-2-1-3-10(12)8(9)6-13-7-4-5-7/h1-3,7,13H,4-6H2
InChIKey
VNFABSKAJCALBZ-UHFFFAOYSA-N
Compound name
N-[(2-chloro-6-fluorophenyl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

199.05641 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06369 133.6
[M+Na]+ 222.04563 143.9
[M-H]- 198.04913 139.8
[M+NH4]+ 217.09023 148.9
[M+K]+ 238.01957 138.7
[M+H-H2O]+ 182.05367 126.9
[M+HCOO]- 244.05461 153.9
[M+CH3COO]- 258.07026 189.5
[M+Na-2H]- 220.03108 139.9
[M]+ 199.05586 135.8
[M]- 199.05696 135.8
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