CID 53394777

1-(2-chloro-6-fluorophenyl)ethanamine hydrochloride

Structural Information

Molecular Formula
C8H9ClFN
SMILES
CC(C1=C(C=CC=C1Cl)F)N
InChI
InChI=1S/C8H9ClFN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3
InChIKey
WLQXZWHHERXWHA-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

173.04076 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04804 132.2
[M+Na]+ 196.02998 141.6
[M-H]- 172.03348 134.5
[M+NH4]+ 191.07458 153.3
[M+K]+ 212.00392 137.6
[M+H-H2O]+ 156.03802 127.0
[M+HCOO]- 218.03896 150.9
[M+CH3COO]- 232.05461 182.1
[M+Na-2H]- 194.01543 136.5
[M]+ 173.04021 131.0
[M]- 173.04131 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe