CID 117276033

2,4-difluoro-5-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H3F2NO
SMILES
C1=C(C(=CC(=C1O)F)F)C#N
InChI
InChI=1S/C7H3F2NO/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,11H
InChIKey
ORAUQGDBWNRTOZ-UHFFFAOYSA-N
Compound name
2,4-difluoro-5-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

155.01826 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02554 130.7
[M+Na]+ 178.00748 142.5
[M+NH4]+ 173.05208 134.7
[M+K]+ 193.98142 133.4
[M-H]- 154.01098 122.5
[M+Na-2H]- 175.99293 133.8
[M]+ 155.01771 129.2
[M]- 155.01881 129.2
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

patents stripe