CID 165667980

4-bromo-1-chloro-2-isocyanobenzene

Structural Information

Molecular Formula
C7H3BrClN
SMILES
[C-]#[N+]C1=C(C=CC(=C1)Br)Cl
InChI
InChI=1S/C7H3BrClN/c1-10-7-4-5(8)2-3-6(7)9/h2-4H
InChIKey
MOSOOVXNFZTKPW-UHFFFAOYSA-N
Compound name
4-bromo-1-chloro-2-isocyanobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.91374 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.92102 138.9
[M+Na]+ 237.90296 154.4
[M-H]- 213.90646 142.7
[M+NH4]+ 232.94756 159.2
[M+K]+ 253.87690 136.8
[M+H-H2O]+ 197.91100 138.3
[M+HCOO]- 259.91194 155.5
[M+CH3COO]- 273.92759 187.0
[M+Na-2H]- 235.88841 147.0
[M]+ 214.91319 150.0
[M]- 214.91429 150.0
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

No patent data available for this compound.