CID 119001893

1-bromo-2-(bromomethyl)-5-fluoro-3-nitrobenzene

Structural Information

Molecular Formula
C7H4Br2FNO2
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])CBr)Br)F
InChI
InChI=1S/C7H4Br2FNO2/c8-3-5-6(9)1-4(10)2-7(5)11(12)13/h1-2H,3H2
InChIKey
HTMQQHDHWBLMKU-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-5-fluoro-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.85928 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.866556 148.3
[M+Na]+ 333.848498 159.7
[M-H]- 309.852004 154.5
[M+NH4]+ 328.893103 166.7
[M+K]+ 349.822438 141.0
[M+H-H2O]+ 293.856540 158.4
[M+HCOO]- 355.857481 165.2
[M+CH3COO]- 369.873131 201.1
[M+Na-2H]- 331.833946 155.2
[M]+ 310.85873142 181.7
[M]- 310.85982858 181.7
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