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]+ 215.921016 138.9
[M+Na]+ 237.902958 154.4
[M-H]- 213.906464 142.7
[M+NH4]+ 232.947563 159.2
[M+K]+ 253.876898 136.8
[M+H-H2O]+ 197.911000 138.3
[M+HCOO]- 259.911941 155.5
[M+CH3COO]- 273.927591 187.0
[M+Na-2H]- 235.888406 147.0
[M]+ 214.91319142 150.0
[M]- 214.91428858 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.