CID 12490137

3-bromo-5-methylbenzene-1,2-diamine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CC1=CC(=C(C(=C1)Br)N)N
InChI
InChI=1S/C7H9BrN2/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,9-10H2,1H3
InChIKey
WHVCTNJQZXBGDH-UHFFFAOYSA-N
Compound name
3-bromo-5-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

199.9949 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.002176 134.4
[M+Na]+ 222.984118 146.5
[M-H]- 198.987624 140.4
[M+NH4]+ 218.028723 156.5
[M+K]+ 238.958058 134.5
[M+H-H2O]+ 182.992160 133.7
[M+HCOO]- 244.993101 157.4
[M+CH3COO]- 259.008751 187.4
[M+Na-2H]- 220.969566 140.6
[M]+ 199.99435142 149.6
[M]- 199.99544858 149.6
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