CID 47002215

2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile

Structural Information

Molecular Formula
C10H10FNO
SMILES
C1=CC(=CC=C1CC(CO)C#N)F
InChI
InChI=1S/C10H10FNO/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9,13H,5,7H2
InChIKey
KWFISRFRHISQEV-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

179.07465 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.081926 137.0
[M+Na]+ 202.063868 146.4
[M-H]- 178.067374 137.9
[M+NH4]+ 197.108473 154.5
[M+K]+ 218.037808 142.9
[M+H-H2O]+ 162.071910 124.4
[M+HCOO]- 224.072851 154.7
[M+CH3COO]- 238.088501 192.0
[M+Na-2H]- 200.049316 141.5
[M]+ 179.07410142 130.6
[M]- 179.07519858 130.6
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