CID 318864

4-bromo-1-methyl-2-nitronaphthalene

Structural Information

Molecular Formula
C11H8BrNO2
SMILES
CC1=C(C=C(C2=CC=CC=C12)Br)[N+](=O)[O-]
InChI
InChI=1S/C11H8BrNO2/c1-7-8-4-2-3-5-9(8)10(12)6-11(7)13(14)15/h2-6H,1H3
InChIKey
SIGLNJPRJCTIDS-UHFFFAOYSA-N
Compound name
4-bromo-1-methyl-2-nitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.97385 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.98113 148.2
[M+Na]+ 287.96307 154.1
[M+NH4]+ 283.00767 154.1
[M+K]+ 303.93701 155.0
[M-H]- 263.96657 151.2
[M+Na-2H]- 285.94852 152.4
[M]+ 264.97330 148.8
[M]- 264.97440 148.8
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

No patent data available for this compound.