CID 70487064

50910-53-7

Structural Information

Molecular Formula
C13H16Br2N2O
SMILES
C1CC(CCC1N=CC2=C(C(=CC(=C2)Br)Br)N)O
InChI
InChI=1S/C13H16Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-7,10-11,18H,1-4,16H2
InChIKey
PACIGGABLPTEDO-UHFFFAOYSA-N
Compound name
4-[(2-amino-3,5-dibromophenyl)methylideneamino]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

373.96295 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.97023 163.9
[M+Na]+ 396.95217 171.5
[M-H]- 372.95567 171.6
[M+NH4]+ 391.99677 179.6
[M+K]+ 412.92611 154.7
[M+H-H2O]+ 356.96021 169.4
[M+HCOO]- 418.96115 177.9
[M+CH3COO]- 432.97680 217.4
[M+Na-2H]- 394.93762 166.8
[M]+ 373.96240 192.9
[M]- 373.96350 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe