CID 2423966

1-chloro-2-(trifluoromethyl)naphthalene

Structural Information

Molecular Formula
C11H6ClF3
SMILES
C1=CC=C2C(=C1)C=CC(=C2Cl)C(F)(F)F
InChI
InChI=1S/C11H6ClF3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13,14)15/h1-6H
InChIKey
NSTGZBAGGSXDFZ-UHFFFAOYSA-N
Compound name
1-chloro-2-(trifluoromethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

230.01102 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01830 141.4
[M+Na]+ 253.00024 152.9
[M-H]- 229.00374 142.6
[M+NH4]+ 248.04484 161.9
[M+K]+ 268.97418 146.9
[M+H-H2O]+ 213.00828 134.2
[M+HCOO]- 275.00922 155.9
[M+CH3COO]- 289.02487 188.8
[M+Na-2H]- 250.98569 148.8
[M]+ 230.01047 139.8
[M]- 230.01157 139.8
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