CID 2736978

2,3-difluoro-4-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H3F2NO
SMILES
C1=CC(=C(C(=C1C#N)F)F)O
InChI
InChI=1S/C7H3F2NO/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2,11H
InChIKey
UIJJJWADIVZXNT-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
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 123.3
[M+Na]+ 178.00748 135.6
[M-H]- 154.01098 124.0
[M+NH4]+ 173.05208 142.2
[M+K]+ 193.98142 132.4
[M+H-H2O]+ 138.01552 110.8
[M+HCOO]- 200.01646 142.0
[M+CH3COO]- 214.03211 187.7
[M+Na-2H]- 175.99293 128.8
[M]+ 155.01771 116.1
[M]- 155.01881 116.1
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