CID 54595648

2-bromo-1-n-methylbenzene-1,4-diamine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CNC1=C(C=C(C=C1)N)Br
InChI
InChI=1S/C7H9BrN2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKey
JAOXYXBFSONQAX-UHFFFAOYSA-N
Compound name
2-bromo-1-N-methylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.002176 133.6
[M+Na]+ 222.984118 144.8
[M-H]- 198.987624 139.7
[M+NH4]+ 218.028723 155.7
[M+K]+ 238.958058 133.3
[M+H-H2O]+ 182.992160 132.8
[M+HCOO]- 244.993101 157.3
[M+CH3COO]- 259.008751 186.9
[M+Na-2H]- 220.969566 141.6
[M]+ 199.99435142 149.4
[M]- 199.99544858 149.4
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