CID 11858735

(2s)-2-(4-bromophenyl)-2-hydroxyacetonitrile

Structural Information

Molecular Formula
C8H6BrNO
SMILES
C1=CC(=CC=C1[C@@H](C#N)O)Br
InChI
InChI=1S/C8H6BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H/t8-/m1/s1
InChIKey
AYTVNJIUMVFUCJ-MRVPVSSYSA-N
Compound name
(2S)-2-(4-bromophenyl)-2-hydroxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.96329 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.97057 135.4
[M+Na]+ 233.95251 148.5
[M-H]- 209.95601 139.0
[M+NH4]+ 228.99711 154.8
[M+K]+ 249.92645 137.0
[M+H-H2O]+ 193.96055 129.1
[M+HCOO]- 255.96149 154.4
[M+CH3COO]- 269.97714 193.4
[M+Na-2H]- 231.93796 142.1
[M]+ 210.96274 146.2
[M]- 210.96384 146.2
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