CID 31109

2-sec-butylamino-3-chloro-1,4-naphthoquinone

Structural Information

Molecular Formula
C14H14ClNO2
SMILES
CCC(C)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
InChI
InChI=1S/C14H14ClNO2/c1-3-8(2)16-12-11(15)13(17)9-6-4-5-7-10(9)14(12)18/h4-8,16H,3H2,1-2H3
InChIKey
HDXVNLIHACWOKE-UHFFFAOYSA-N
Compound name
2-(butan-2-ylamino)-3-chloronaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07132 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07860 155.9
[M+Na]+ 286.06054 169.9
[M+NH4]+ 281.10514 164.6
[M+K]+ 302.03448 162.2
[M-H]- 262.06404 159.0
[M+Na-2H]- 284.04599 161.6
[M]+ 263.07077 159.1
[M]- 263.07187 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.