CID 15165443

4-bromo-3-fluorobenzonitrile

Structural Information

Molecular Formula
C7H3BrFN
SMILES
C1=CC(=C(C=C1C#N)F)Br
InChI
InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChIKey
QBKXYSXQKRNVRQ-UHFFFAOYSA-N
Compound name
4-bromo-3-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

772
Patents

198.94328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.950556 127.1
[M+Na]+ 221.932498 142.2
[M-H]- 197.936004 131.2
[M+NH4]+ 216.977103 148.0
[M+K]+ 237.906438 130.6
[M+H-H2O]+ 181.940540 120.5
[M+HCOO]- 243.941481 147.7
[M+CH3COO]- 257.957131 194.0
[M+Na-2H]- 219.917946 135.1
[M]+ 198.94273142 138.0
[M]- 198.94382858 138.0
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