CID 78408

4684-12-2

Structural Information

Molecular Formula
C10H8ClN
SMILES
C1=CC=C2C(=C1)C(=CC=C2Cl)N
InChI
InChI=1S/C10H8ClN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2
InChIKey
DEPDZGNUVOAZCW-UHFFFAOYSA-N
Compound name
4-chloronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

429
Patents

177.03453 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.041806 133.1
[M+Na]+ 200.023748 143.5
[M-H]- 176.027254 137.6
[M+NH4]+ 195.068353 155.2
[M+K]+ 215.997688 138.2
[M+H-H2O]+ 160.031790 128.4
[M+HCOO]- 222.032731 153.2
[M+CH3COO]- 236.048381 147.4
[M+Na-2H]- 198.009196 141.5
[M]+ 177.03398142 133.4
[M]- 177.03507858 133.4
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