CID 155819632

3-bromo-2,6-difluoro-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H2BrF2NO3
SMILES
C1=C(C(=C(C(=C1Br)F)C=O)F)[N+](=O)[O-]
InChI
InChI=1S/C7H2BrF2NO3/c8-4-1-5(11(13)14)7(10)3(2-12)6(4)9/h1-2H
InChIKey
WAUHXUZIPPGMQO-UHFFFAOYSA-N
Compound name
3-bromo-2,6-difluoro-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.9186 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.92588 143.2
[M+Na]+ 287.90782 156.9
[M-H]- 263.91132 148.0
[M+NH4]+ 282.95242 163.2
[M+K]+ 303.88176 141.8
[M+H-H2O]+ 247.91586 145.8
[M+HCOO]- 309.91680 165.1
[M+CH3COO]- 323.93245 187.9
[M+Na-2H]- 285.89327 150.0
[M]+ 264.91805 160.3
[M]- 264.91915 160.3
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