CID 19602036

1,3-difluoro-2-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H3F5O
SMILES
C1=CC(=C(C(=C1)F)OC(F)(F)F)F
InChI
InChI=1S/C7H3F5O/c8-4-2-1-3-5(9)6(4)13-7(10,11)12/h1-3H
InChIKey
CETQITNIBDFSTM-UHFFFAOYSA-N
Compound name
1,3-difluoro-2-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

198.0104 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01768 130.8
[M+Na]+ 220.99962 141.7
[M-H]- 197.00312 128.8
[M+NH4]+ 216.04422 150.4
[M+K]+ 236.97356 139.1
[M+H-H2O]+ 181.00766 121.7
[M+HCOO]- 243.00860 149.3
[M+CH3COO]- 257.02425 183.4
[M+Na-2H]- 218.98507 136.4
[M]+ 198.00985 125.5
[M]- 198.01095 125.5
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

patents stripe