CID 11105536

176485-58-8

Structural Information

Molecular Formula
C8H6FNO
SMILES
C1=CC(=CC=C1[C@@H](C#N)O)F
InChI
InChI=1S/C8H6FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H/t8-/m1/s1
InChIKey
UWDPUVCVIQXYQR-MRVPVSSYSA-N
Compound name
(2S)-2-(4-fluorophenyl)-2-hydroxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.04333 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05061 129.0
[M+Na]+ 174.03255 139.1
[M-H]- 150.03605 130.1
[M+NH4]+ 169.07715 147.5
[M+K]+ 190.00649 136.1
[M+H-H2O]+ 134.04059 116.6
[M+HCOO]- 196.04153 147.2
[M+CH3COO]- 210.05718 186.6
[M+Na-2H]- 172.01800 134.4
[M]+ 151.04278 121.8
[M]- 151.04388 121.8
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