CID 2758169

1,3-dichloro-5-isocyanobenzene

Structural Information

Molecular Formula
C7H3Cl2N
SMILES
[C-]#[N+]C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C7H3Cl2N/c1-10-7-3-5(8)2-6(9)4-7/h2-4H
InChIKey
DCILZQJNNCXZNI-UHFFFAOYSA-N
Compound name
1,3-dichloro-5-isocyanobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

170.96425 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.97153 126.7
[M+Na]+ 193.95347 143.1
[M+NH4]+ 188.99807 134.0
[M+K]+ 209.92741 133.7
[M-H]- 169.95697 123.8
[M+Na-2H]- 191.93892 132.9
[M]+ 170.96370 128.2
[M]- 170.96480 128.2
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