CID 75480372

3-(2,4-difluorophenyl)-2-hydroxypropanenitrile

Structural Information

Molecular Formula
C9H7F2NO
SMILES
C1=CC(=C(C=C1F)F)CC(C#N)O
InChI
InChI=1S/C9H7F2NO/c10-7-2-1-6(9(11)4-7)3-8(13)5-12/h1-2,4,8,13H,3H2
InChIKey
MGGLYCWZIDBUHT-UHFFFAOYSA-N
Compound name
3-(2,4-difluorophenyl)-2-hydroxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.04958 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05686 133.2
[M+Na]+ 206.03880 143.7
[M-H]- 182.04230 133.3
[M+NH4]+ 201.08340 150.7
[M+K]+ 222.01274 140.3
[M+H-H2O]+ 166.04684 120.1
[M+HCOO]- 228.04778 150.3
[M+CH3COO]- 242.06343 192.8
[M+Na-2H]- 204.02425 137.1
[M]+ 183.04903 125.7
[M]- 183.05013 125.7
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.