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

63
Patents

198.0104 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.017676 130.8
[M+Na]+ 220.999618 141.7
[M-H]- 197.003124 128.8
[M+NH4]+ 216.044223 150.4
[M+K]+ 236.973558 139.1
[M+H-H2O]+ 181.007660 121.7
[M+HCOO]- 243.008601 149.3
[M+CH3COO]- 257.024251 183.4
[M+Na-2H]- 218.985066 136.4
[M]+ 198.00985142 125.5
[M]- 198.01094858 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