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]+ 241.98113 140.4
[M+Na]+ 263.96307 153.3
[M-H]- 239.96657 150.7
[M+NH4]+ 259.00767 156.7
[M+K]+ 279.93701 138.2
[M+H-H2O]+ 223.97111 143.9
[M+HCOO]- 285.97205 164.0
[M+CH3COO]- 299.98770 187.2
[M+Na-2H]- 261.94852 149.3
[M]+ 240.97330 159.3
[M]- 240.97440 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