CID 11806312

2,2,2-trifluoro-1-(naphthalen-2-yl)ethan-1-one

Structural Information

Molecular Formula
C12H7F3O
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C12H7F3O/c13-12(14,15)11(16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey
JWQLBVFFLIHXHA-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-naphthalen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

224.0449 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05218 143.1
[M+Na]+ 247.03412 152.3
[M-H]- 223.03762 144.0
[M+NH4]+ 242.07872 162.3
[M+K]+ 263.00806 148.3
[M+H-H2O]+ 207.04216 134.8
[M+HCOO]- 269.04310 161.2
[M+CH3COO]- 283.05875 188.9
[M+Na-2H]- 245.01957 149.9
[M]+ 224.04435 139.3
[M]- 224.04545 139.3
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