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

19
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 130.0
[M+Na]+ 177.98302 142.2
[M-H]- 153.98652 131.1
[M+NH4]+ 173.02762 149.2
[M+K]+ 193.95696 132.6
[M+H-H2O]+ 137.99106 123.6
[M+HCOO]- 199.99200 145.6
[M+CH3COO]- 214.00765 179.8
[M+Na-2H]- 175.96847 136.9
[M]+ 154.99325 122.5
[M]- 154.99435 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