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 150.0
[M+Na]+ 287.96307 161.9
[M-H]- 263.96657 157.7
[M+NH4]+ 283.00767 170.9
[M+K]+ 303.93701 147.0
[M+H-H2O]+ 247.97111 154.1
[M+HCOO]- 309.97205 172.2
[M+CH3COO]- 323.98770 189.7
[M+Na-2H]- 285.94852 159.4
[M]+ 264.97330 168.7
[M]- 264.97440 168.7
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.