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

41
Patents

199.05641 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.063686 133.6
[M+Na]+ 222.045628 143.9
[M-H]- 198.049134 139.8
[M+NH4]+ 217.090233 148.9
[M+K]+ 238.019568 138.7
[M+H-H2O]+ 182.053670 126.9
[M+HCOO]- 244.054611 153.9
[M+CH3COO]- 258.070261 189.5
[M+Na-2H]- 220.031076 139.9
[M]+ 199.05586142 135.8
[M]- 199.05695858 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