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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.981126	150.0
[M+Na]+	287.963068	161.9
[M-H]-	263.966574	157.7
[M+NH4]+	283.007673	170.9
[M+K]+	303.937008	147.0
[M+H-H2O]+	247.971110	154.1
[M+HCOO]-	309.972051	172.2
[M+CH3COO]-	323.987701	189.7
[M+Na-2H]-	285.948516	159.4
[M]+	264.97330142	168.7
[M]-	264.97439858	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.