CID 131290321

2-bromo-3-chloro-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H3BrClNO3
SMILES
C1=C(C=C(C(=C1C=O)Br)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H3BrClNO3/c8-7-4(3-11)1-5(10(12)13)2-6(7)9/h1-3H
InChIKey
TWAPFNAJSBLZKQ-UHFFFAOYSA-N
Compound name
2-bromo-3-chloro-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.9
[M+Na]+ 285.88769 156.5
[M-H]- 261.89119 149.8
[M+NH4]+ 280.93229 163.7
[M+K]+ 301.86163 140.5
[M+H-H2O]+ 245.89573 148.3
[M+HCOO]- 307.89667 162.5
[M+CH3COO]- 321.91232 185.3
[M+Na-2H]- 283.87314 151.2
[M]+ 262.89792 163.8
[M]- 262.89902 163.8
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.