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

5
Patents

179.07465 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08193 137.0
[M+Na]+ 202.06387 146.4
[M-H]- 178.06737 137.9
[M+NH4]+ 197.10847 154.5
[M+K]+ 218.03781 142.9
[M+H-H2O]+ 162.07191 124.4
[M+HCOO]- 224.07285 154.7
[M+CH3COO]- 238.08850 192.0
[M+Na-2H]- 200.04932 141.5
[M]+ 179.07410 130.6
[M]- 179.07520 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