CID 20304879

2-bromo-2-(4-fluorophenyl)acetonitrile

Structural Information

Molecular Formula
C8H5BrFN
SMILES
C1=CC(=CC=C1C(C#N)Br)F
InChI
InChI=1S/C8H5BrFN/c9-8(5-11)6-1-3-7(10)4-2-6/h1-4,8H
InChIKey
SOMMSAPOMZNYMY-UHFFFAOYSA-N
Compound name
2-bromo-2-(4-fluorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

212.95894 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.966216 133.5
[M+Na]+ 235.948158 147.1
[M-H]- 211.951664 137.1
[M+NH4]+ 230.992763 153.5
[M+K]+ 251.922098 135.5
[M+H-H2O]+ 195.956200 126.4
[M+HCOO]- 257.957141 152.8
[M+CH3COO]- 271.972791 196.3
[M+Na-2H]- 233.933606 140.3
[M]+ 212.95839142 143.7
[M]- 212.95948858 143.7
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