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

3
Patents

151.04333 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.050606 129.0
[M+Na]+ 174.032548 139.1
[M-H]- 150.036054 130.1
[M+NH4]+ 169.077153 147.5
[M+K]+ 190.006488 136.1
[M+H-H2O]+ 134.040590 116.6
[M+HCOO]- 196.041531 147.2
[M+CH3COO]- 210.057181 186.6
[M+Na-2H]- 172.017996 134.4
[M]+ 151.04278142 121.8
[M]- 151.04387858 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