CID 12363816

1-(trifluoromethyl)naphthalene

Structural Information

Molecular Formula
C11H7F3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(F)(F)F
InChI
InChI=1S/C11H7F3/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
GOBHSUAEQGWYBT-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

685
Patents

196.04999 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05727 136.1
[M+Na]+ 219.03921 145.9
[M-H]- 195.04271 137.1
[M+NH4]+ 214.08381 156.8
[M+K]+ 235.01315 141.7
[M+H-H2O]+ 179.04725 128.1
[M+HCOO]- 241.04819 155.2
[M+CH3COO]- 255.06384 184.0
[M+Na-2H]- 217.02466 144.6
[M]+ 196.04944 131.9
[M]- 196.05054 131.9
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