CID 12440885

29203-58-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
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

literature stripe

Patent stripe

patents stripe