CID 299767

1-(2-chlorophenyl)ethanamine

Structural Information

Molecular Formula
C8H10ClN
SMILES
CC(C1=CC=CC=C1Cl)N
InChI
InChI=1S/C8H10ClN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3
InChIKey
RJPLGQTZHLRZGX-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

407
Patents

155.05017 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 130.4
[M+Na]+ 178.03939 138.9
[M-H]- 154.04289 133.7
[M+NH4]+ 173.08399 152.0
[M+K]+ 194.01333 135.2
[M+H-H2O]+ 138.04743 126.0
[M+HCOO]- 200.04837 150.1
[M+CH3COO]- 214.06402 178.3
[M+Na-2H]- 176.02484 136.0
[M]+ 155.04962 129.9
[M]- 155.05072 129.9
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