CID 2758168

1,2-dichloro-4-isocyanobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

170.96425 Da
Monoisotopic Mass

3.1
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

literature stripe

Patent stripe

patents stripe