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

14
Patents

214.01056 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01784 138.8
[M+Na]+ 236.99978 151.3
[M-H]- 213.00328 145.0
[M+NH4]+ 232.04438 160.7
[M+K]+ 252.97372 139.1
[M+H-H2O]+ 197.00782 138.1
[M+HCOO]- 259.00876 161.4
[M+CH3COO]- 273.02441 191.4
[M+Na-2H]- 234.98523 143.8
[M]+ 214.01001 154.6
[M]- 214.01111 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