CID 91663051

5-(difluoromethoxy)-2-fluorobenzonitrile

Structural Information

Molecular Formula
C8H4F3NO
SMILES
C1=CC(=C(C=C1OC(F)F)C#N)F
InChI
InChI=1S/C8H4F3NO/c9-7-2-1-6(13-8(10)11)3-5(7)4-12/h1-3,8H
InChIKey
HXIYYZYQQLHVTJ-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)-2-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.0245 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03178 128.5
[M+Na]+ 210.01372 139.6
[M-H]- 186.01722 128.5
[M+NH4]+ 205.05832 146.3
[M+K]+ 225.98766 136.9
[M+H-H2O]+ 170.02176 114.3
[M+HCOO]- 232.02270 146.2
[M+CH3COO]- 246.03835 195.0
[M+Na-2H]- 207.99917 132.9
[M]+ 187.02395 121.2
[M]- 187.02505 121.2
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.