CID 66572551

1-bromo-5-fluoro-2-methylnaphthalene

Structural Information

Molecular Formula
C11H8BrF
SMILES
CC1=C(C2=C(C=C1)C(=CC=C2)F)Br
InChI
InChI=1S/C11H8BrF/c1-7-5-6-8-9(11(7)12)3-2-4-10(8)13/h2-6H,1H3
InChIKey
ZOWQAGWJSARHNT-UHFFFAOYSA-N
Compound name
1-bromo-5-fluoro-2-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

237.97934 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98662 142.5
[M+Na]+ 260.96856 156.2
[M-H]- 236.97206 149.2
[M+NH4]+ 256.01316 165.6
[M+K]+ 276.94250 144.3
[M+H-H2O]+ 220.97660 142.5
[M+HCOO]- 282.97754 162.8
[M+CH3COO]- 296.99319 190.9
[M+Na-2H]- 258.95401 150.9
[M]+ 237.97879 160.6
[M]- 237.97989 160.6
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

patents stripe