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

28
Patents

177.03453 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe