CID 12227336

3-bromo-4-cyclopropylnitrobenzene

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1CC1C2=C(C=C(C=C2)[N+](=O)[O-])Br
InChI
InChI=1S/C9H8BrNO2/c10-9-5-7(11(12)13)3-4-8(9)6-1-2-6/h3-6H,1-2H2
InChIKey
MKHKGNDIOGKUGW-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclopropyl-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.97385 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.981126 140.4
[M+Na]+ 263.963068 153.3
[M-H]- 239.966574 150.7
[M+NH4]+ 259.007673 156.7
[M+K]+ 279.937008 138.2
[M+H-H2O]+ 223.971110 143.9
[M+HCOO]- 285.972051 164.0
[M+CH3COO]- 299.987701 187.2
[M+Na-2H]- 261.948516 149.3
[M]+ 240.97330142 159.3
[M]- 240.97439858 159.3
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