CID 56737046

3-bromo-4,5-dimethylbenzene-1,2-diamine

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CC1=CC(=C(C(=C1C)Br)N)N
InChI
InChI=1S/C8H11BrN2/c1-4-3-6(10)8(11)7(9)5(4)2/h3H,10-11H2,1-2H3
InChIKey
FKOBSMCLWHINRX-UHFFFAOYSA-N
Compound name
3-bromo-4,5-dimethylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

214.01056 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.017836 138.8
[M+Na]+ 236.999778 151.3
[M-H]- 213.003284 145.0
[M+NH4]+ 232.044383 160.7
[M+K]+ 252.973718 139.1
[M+H-H2O]+ 197.007820 138.1
[M+HCOO]- 259.008761 161.4
[M+CH3COO]- 273.024411 191.4
[M+Na-2H]- 234.985226 143.8
[M]+ 214.01001142 154.6
[M]- 214.01110858 154.6
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