CID 15366548

5-bromo-4-chloro-2-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H3BrClNO3
SMILES
C1=C(C(=CC(=C1Br)Cl)[N+](=O)[O-])C=O
InChI
InChI=1S/C7H3BrClNO3/c8-5-1-4(3-11)7(10(12)13)2-6(5)9/h1-3H
InChIKey
JYXKLHDTWONABR-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-2-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

262.89847 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.90575 145.1
[M+Na]+ 285.88769 150.5
[M+NH4]+ 280.93229 150.0
[M+K]+ 301.86163 152.2
[M-H]- 261.89119 146.6
[M+Na-2H]- 283.87314 148.4
[M]+ 262.89792 145.4
[M]- 262.89902 145.4
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

patents stripe