CID 33784642

1092291-41-2

Structural Information

Molecular Formula
C9H11BrN2
SMILES
C1CC1NC2=C(C=C(C=C2)Br)N
InChI
InChI=1S/C9H11BrN2/c10-6-1-4-9(8(11)5-6)12-7-2-3-7/h1,4-5,7,12H,2-3,11H2
InChIKey
IBDBZZZATILJRU-UHFFFAOYSA-N
Compound name
4-bromo-1-N-cyclopropylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

226.01056 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.017836 138.1
[M+Na]+ 248.999778 150.5
[M-H]- 225.003284 147.8
[M+NH4]+ 244.044383 154.8
[M+K]+ 264.973718 137.9
[M+H-H2O]+ 209.007820 136.8
[M+HCOO]- 271.008761 161.9
[M+CH3COO]- 285.024411 194.0
[M+Na-2H]- 246.985226 145.9
[M]+ 226.01001142 155.3
[M]- 226.01110858 155.3
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