CID 58925686

2-chloro-6-fluoro-3-formylbenzonitrile

Structural Information

Molecular Formula
C8H3ClFNO
SMILES
C1=CC(=C(C(=C1C=O)Cl)C#N)F
InChI
InChI=1S/C8H3ClFNO/c9-8-5(4-12)1-2-7(10)6(8)3-11/h1-2,4H
InChIKey
LNONKHLXRPKMEX-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-3-formylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

182.98872 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.99600 130.4
[M+Na]+ 205.97794 143.9
[M-H]- 181.98144 133.4
[M+NH4]+ 201.02254 149.8
[M+K]+ 221.95188 139.0
[M+H-H2O]+ 165.98598 119.2
[M+HCOO]- 227.98692 147.1
[M+CH3COO]- 242.00257 192.9
[M+Na-2H]- 203.96339 135.9
[M]+ 182.98817 127.5
[M]- 182.98927 127.5
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