CID 23423647

3-chloronaphthalen-1-amine

Structural Information

Molecular Formula
C10H8ClN
SMILES
C1=CC=C2C(=C1)C=C(C=C2N)Cl
InChI
InChI=1S/C10H8ClN/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H,12H2
InChIKey
NLGWROLEWGVGSB-UHFFFAOYSA-N
Compound name
3-chloronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

177.03453 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe