CID 10749406

3,5-difluoro-4-hydroxy-benzonitrile

Structural Information

Molecular Formula
C7H3F2NO
SMILES
C1=C(C=C(C(=C1F)O)F)C#N
InChI
InChI=1S/C7H3F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKey
XZNZJDPPWWFJAL-UHFFFAOYSA-N
Compound name
3,5-difluoro-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
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

literature stripe

Patent stripe

patents stripe