CID 2757580

3-chloro-4-fluorophenylisocyanide

Structural Information

Molecular Formula
C7H3ClFN
SMILES
[C-]#[N+]C1=CC(=C(C=C1)F)Cl
InChI
InChI=1S/C7H3ClFN/c1-10-5-2-3-7(9)6(8)4-5/h2-4H
InChIKey
MPWTXTFECRJPOT-UHFFFAOYSA-N
Compound name
2-chloro-1-fluoro-4-isocyanobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

154.9938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.001076 130.0
[M+Na]+ 177.983018 142.2
[M-H]- 153.986524 131.1
[M+NH4]+ 173.027623 149.2
[M+K]+ 193.956958 132.6
[M+H-H2O]+ 137.991060 123.6
[M+HCOO]- 199.992001 145.6
[M+CH3COO]- 214.007651 179.8
[M+Na-2H]- 175.968466 136.9
[M]+ 154.99325142 122.5
[M]- 154.99434858 122.5
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