CID 13047805

86405-09-6

Structural Information

Molecular Formula
C7H5BrClNO
SMILES
C1=CC(=CC(=C1)Br)/C(=N/O)/Cl
InChI
InChI=1S/C7H5BrClNO/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H/b10-7-
InChIKey
PYTGMMRJSZMTOA-YFHOEESVSA-N
Compound name
(1Z)-3-bromo-N-hydroxybenzenecarboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

232.9243 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.93158 136.8
[M+Na]+ 255.91352 149.2
[M-H]- 231.91702 143.3
[M+NH4]+ 250.95812 158.9
[M+K]+ 271.88746 136.6
[M+H-H2O]+ 215.92156 137.6
[M+HCOO]- 277.92250 155.4
[M+CH3COO]- 291.93815 186.6
[M+Na-2H]- 253.89897 144.9
[M]+ 232.92375 156.0
[M]- 232.92485 156.0
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.