CID 93656

2-chloro-5-fluorobenzonitrile

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

131
Patents

154.9938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.001076 124.6
[M+Na]+ 177.983018 137.5
[M-H]- 153.986524 127.3
[M+NH4]+ 173.027623 144.8
[M+K]+ 193.956958 132.7
[M+H-H2O]+ 137.991060 113.4
[M+HCOO]- 199.992001 141.2
[M+CH3COO]- 214.007651 188.2
[M+Na-2H]- 175.968466 131.3
[M]+ 154.99325142 120.3
[M]- 154.99434858 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