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

849
Patents

198.94328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.95056 127.1
[M+Na]+ 221.93250 142.2
[M-H]- 197.93600 131.2
[M+NH4]+ 216.97710 148.0
[M+K]+ 237.90644 130.6
[M+H-H2O]+ 181.94054 120.5
[M+HCOO]- 243.94148 147.7
[M+CH3COO]- 257.95713 194.0
[M+Na-2H]- 219.91795 135.1
[M]+ 198.94273 138.0
[M]- 198.94383 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