CID 79528

N-(3-chlorophenyl)naphthalen-2-amine

Structural Information

Molecular Formula
C16H12ClN
SMILES
C1=CC=C2C=C(C=CC2=C1)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H12ClN/c17-14-6-3-7-15(11-14)18-16-9-8-12-4-1-2-5-13(12)10-16/h1-11,18H
InChIKey
XEYHIIBYEOWKLL-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

14
Patents

253.06583 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07311 154.4
[M+Na]+ 276.05505 163.5
[M-H]- 252.05855 161.8
[M+NH4]+ 271.09965 173.0
[M+K]+ 292.02899 156.5
[M+H-H2O]+ 236.06309 147.3
[M+HCOO]- 298.06403 174.3
[M+CH3COO]- 312.07968 167.2
[M+Na-2H]- 274.04050 163.0
[M]+ 253.06528 155.3
[M]- 253.06638 155.3
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