CID 83410492

2,6-difluoro-3-formylbenzonitrile

Structural Information

Molecular Formula
C8H3F2NO
SMILES
C1=CC(=C(C(=C1C=O)F)C#N)F
InChI
InChI=1S/C8H3F2NO/c9-7-2-1-5(4-12)8(10)6(7)3-11/h1-2,4H
InChIKey
RCAHEIDQEALMTO-UHFFFAOYSA-N
Compound name
2,6-difluoro-3-formylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

167.01826 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02554 134.5
[M+Na]+ 190.00748 146.7
[M+NH4]+ 185.05208 138.4
[M+K]+ 205.98142 136.9
[M-H]- 166.01098 126.5
[M+Na-2H]- 187.99293 137.7
[M]+ 167.01771 133.1
[M]- 167.01881 133.1
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