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

18
Patents

154.9938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.00108 123.0
[M+Na]+ 177.98302 138.4
[M+NH4]+ 173.02762 129.5
[M+K]+ 193.95696 129.4
[M-H]- 153.98652 118.5
[M+Na-2H]- 175.96847 128.6
[M]+ 154.99325 123.5
[M]- 154.99435 123.5
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