CID 43163681

[(5-chloro-2-fluorophenyl)methyl](methyl)amine

Structural Information

Molecular Formula
C8H9ClFN
SMILES
CNCC1=C(C=CC(=C1)Cl)F
InChI
InChI=1S/C8H9ClFN/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5H2,1H3
InChIKey
PZXLNIHUWNUZKU-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

173.04076 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04804 131.4
[M+Na]+ 196.02998 141.1
[M-H]- 172.03348 134.1
[M+NH4]+ 191.07458 152.9
[M+K]+ 212.00392 137.0
[M+H-H2O]+ 156.03802 126.1
[M+HCOO]- 218.03896 151.7
[M+CH3COO]- 232.05461 181.9
[M+Na-2H]- 194.01543 138.0
[M]+ 173.04021 131.8
[M]- 173.04131 131.8
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