CID 21731163

2,6-difluorobenzoyl fluoride

Structural Information

Molecular Formula
C7H3F3O
SMILES
C1=CC(=C(C(=C1)F)C(=O)F)F
InChI
InChI=1S/C7H3F3O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H
InChIKey
VCOZBIRNAKCGEP-UHFFFAOYSA-N
Compound name
2,6-difluorobenzoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

160.0136 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02088 123.1
[M+Na]+ 183.00282 133.4
[M-H]- 159.00632 123.7
[M+NH4]+ 178.04742 144.2
[M+K]+ 198.97676 131.2
[M+H-H2O]+ 143.01086 115.6
[M+HCOO]- 205.01180 144.6
[M+CH3COO]- 219.02745 177.8
[M+Na-2H]- 180.98827 128.2
[M]+ 160.01305 119.6
[M]- 160.01415 119.6
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