CID 12385340

8-chloronaphthalen-1-amine

Structural Information

Molecular Formula
C10H8ClN
SMILES
C1=CC2=C(C(=C1)N)C(=CC=C2)Cl
InChI
InChI=1S/C10H8ClN/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,12H2
InChIKey
LQIZPCZWJJQIKV-UHFFFAOYSA-N
Compound name
8-chloronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

177.03453 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04181 133.1
[M+Na]+ 200.02375 143.5
[M-H]- 176.02725 137.6
[M+NH4]+ 195.06835 155.2
[M+K]+ 215.99769 138.2
[M+H-H2O]+ 160.03179 128.4
[M+HCOO]- 222.03273 153.2
[M+CH3COO]- 236.04838 147.4
[M+Na-2H]- 198.00920 141.5
[M]+ 177.03398 133.4
[M]- 177.03508 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