CID 59635422

6-bromo-n1-methylbenzene-1,2-diamine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CNC1=C(C=CC=C1Br)N
InChI
InChI=1S/C7H9BrN2/c1-10-7-5(8)3-2-4-6(7)9/h2-4,10H,9H2,1H3
InChIKey
BVQOQXXITQULGQ-UHFFFAOYSA-N
Compound name
3-bromo-2-N-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

199.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 133.6
[M+Na]+ 222.98412 144.8
[M-H]- 198.98762 139.7
[M+NH4]+ 218.02872 155.7
[M+K]+ 238.95806 133.3
[M+H-H2O]+ 182.99216 132.8
[M+HCOO]- 244.99310 157.3
[M+CH3COO]- 259.00875 186.9
[M+Na-2H]- 220.96957 141.6
[M]+ 199.99435 149.4
[M]- 199.99545 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