CID 2734841

3-chloro-5-fluorobenzonitrile

Structural Information

Molecular Formula
C7H3ClFN
SMILES
C1=C(C=C(C=C1F)Cl)C#N
InChI
InChI=1S/C7H3ClFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKey
GIKLRWNRBOLRDV-UHFFFAOYSA-N
Compound name
3-chloro-5-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

154.9938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.00108 124.6
[M+Na]+ 177.98302 137.5
[M-H]- 153.98652 127.3
[M+NH4]+ 173.02762 144.8
[M+K]+ 193.95696 132.7
[M+H-H2O]+ 137.99106 113.4
[M+HCOO]- 199.99200 141.2
[M+CH3COO]- 214.00765 188.2
[M+Na-2H]- 175.96847 131.3
[M]+ 154.99325 120.3
[M]- 154.99435 120.3
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