CID 131622389

2-bromo-3-chloro-4-fluorobenzonitrile

Structural Information

Molecular Formula
C7H2BrClFN
SMILES
C1=CC(=C(C(=C1C#N)Br)Cl)F
InChI
InChI=1S/C7H2BrClFN/c8-6-4(3-11)1-2-5(10)7(6)9/h1-2H
InChIKey
QLGHMHJQFHNYCD-UHFFFAOYSA-N
Compound name
2-bromo-3-chloro-4-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.90433 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.91161 131.6
[M+Na]+ 255.89355 148.4
[M-H]- 231.89705 135.9
[M+NH4]+ 250.93815 152.4
[M+K]+ 271.86749 134.9
[M+H-H2O]+ 215.90159 125.9
[M+HCOO]- 277.90253 148.3
[M+CH3COO]- 291.91818 198.1
[M+Na-2H]- 253.87900 138.7
[M]+ 232.90378 144.4
[M]- 232.90488 144.4
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

No patent data available for this compound.