CID 9807

2-fluorobenzotrifluoride

Structural Information

Molecular Formula
C7H4F4
SMILES
C1=CC=C(C(=C1)C(F)(F)F)F
InChI
InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey
BGVGHYOIWIALFF-UHFFFAOYSA-N
Compound name
1-fluoro-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5330
Patents

164.02492 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03220 124.8
[M+Na]+ 187.01414 134.8
[M-H]- 163.01764 123.9
[M+NH4]+ 182.05874 145.7
[M+K]+ 202.98808 132.2
[M+H-H2O]+ 147.02218 116.8
[M+HCOO]- 209.02312 144.2
[M+CH3COO]- 223.03877 177.4
[M+Na-2H]- 184.99959 131.8
[M]+ 164.02437 119.0
[M]- 164.02547 119.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.