CID 12636127

6500-37-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

224.0449 Da
Monoisotopic Mass

4.0
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