CID 3118927

1-bromo-2-(trifluoromethyl)naphthalene

Structural Information

Molecular Formula
C11H6BrF3
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)C(F)(F)F
InChI
InChI=1S/C11H6BrF3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13,14)15/h1-6H
InChIKey
RFOANEAFTSCOBB-UHFFFAOYSA-N
Compound name
1-bromo-2-(trifluoromethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9605 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.96778 153.3
[M+Na]+ 296.94972 166.6
[M-H]- 272.95322 157.2
[M+NH4]+ 291.99432 174.5
[M+K]+ 312.92366 154.1
[M+H-H2O]+ 256.95776 151.6
[M+HCOO]- 318.95870 170.0
[M+CH3COO]- 332.97435 194.7
[M+Na-2H]- 294.93517 161.1
[M]+ 273.95995 168.1
[M]- 273.96105 168.1
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

No patent data available for this compound.