CID 131011181

1-(bromomethyl)-2,4-dimethyl-5-nitrobenzene

Structural Information

Molecular Formula
C9H10BrNO2
SMILES
CC1=CC(=C(C=C1CBr)[N+](=O)[O-])C
InChI
InChI=1S/C9H10BrNO2/c1-6-3-7(2)9(11(12)13)4-8(6)5-10/h3-4H,5H2,1-2H3
InChIKey
CYOJMZDJJKLLOP-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,4-dimethyl-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98949 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99677 146.1
[M+Na]+ 265.97871 150.8
[M+NH4]+ 261.02331 151.2
[M+K]+ 281.95265 152.4
[M-H]- 241.98221 148.2
[M+Na-2H]- 263.96416 149.3
[M]+ 242.98894 146.2
[M]- 242.99004 146.2
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.