CID 2777286

1-fluoro-3-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H4F4O
SMILES
C1=CC(=CC(=C1)F)OC(F)(F)F
InChI
InChI=1S/C7H4F4O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
InChIKey
AUKDFDQPJWJEDH-UHFFFAOYSA-N
Compound name
1-fluoro-3-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

577
Patents

180.01982 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02710 128.4
[M+Na]+ 203.00904 138.3
[M-H]- 179.01254 127.4
[M+NH4]+ 198.05364 148.6
[M+K]+ 218.98298 136.1
[M+H-H2O]+ 163.01708 120.0
[M+HCOO]- 225.01802 148.0
[M+CH3COO]- 239.03367 179.4
[M+Na-2H]- 200.99449 135.3
[M]+ 180.01927 124.0
[M]- 180.02037 124.0
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