CID 43225164

2839156-65-7

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
CNCC1=CC(=C(C=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C8H9BrN2O2/c1-10-5-6-2-3-7(9)8(4-6)11(12)13/h2-4,10H,5H2,1H3
InChIKey
KYWIKOHQDQRWEJ-UHFFFAOYSA-N
Compound name
1-(4-bromo-3-nitrophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 144.2
[M+Na]+ 266.97396 154.7
[M-H]- 242.97746 150.6
[M+NH4]+ 262.01856 164.3
[M+K]+ 282.94790 139.9
[M+H-H2O]+ 226.98200 147.4
[M+HCOO]- 288.98294 168.3
[M+CH3COO]- 302.99859 186.9
[M+Na-2H]- 264.95941 153.1
[M]+ 243.98419 161.7
[M]- 243.98529 161.7
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

No patent data available for this compound.