CID 12433511

2-bromo-1-methylnaphthalene

Structural Information

Molecular Formula
C11H9Br
SMILES
CC1=C(C=CC2=CC=CC=C12)Br
InChI
InChI=1S/C11H9Br/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-7H,1H3
InChIKey
AEJFBKVIGAYAQV-UHFFFAOYSA-N
Compound name
2-bromo-1-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

219.98875 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.99603 138.7
[M+Na]+ 242.97797 151.6
[M-H]- 218.98147 146.4
[M+NH4]+ 238.02257 162.3
[M+K]+ 258.95191 140.2
[M+H-H2O]+ 202.98601 139.6
[M+HCOO]- 264.98695 160.1
[M+CH3COO]- 279.00260 154.9
[M+Na-2H]- 240.96342 148.5
[M]+ 219.98820 157.5
[M]- 219.98930 157.5
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