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]+ 227.01784 138.1
[M+Na]+ 248.99978 150.5
[M-H]- 225.00328 147.8
[M+NH4]+ 244.04438 154.8
[M+K]+ 264.97372 137.9
[M+H-H2O]+ 209.00782 136.8
[M+HCOO]- 271.00876 161.9
[M+CH3COO]- 285.02441 194.0
[M+Na-2H]- 246.98523 145.9
[M]+ 226.01001 155.3
[M]- 226.01111 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