CID 3039738

Pyrrolidine, 2-((3,4-dibromophenyl)imino)-1-ethyl-

Structural Information

Molecular Formula
C12H14Br2N2
SMILES
CCN1CCCC1=NC2=CC(=C(C=C2)Br)Br
InChI
InChI=1S/C12H14Br2N2/c1-2-16-7-3-4-12(16)15-9-5-6-10(13)11(14)8-9/h5-6,8H,2-4,7H2,1H3
InChIKey
AMLCLNLCFOCGJR-UHFFFAOYSA-N
Compound name
N-(3,4-dibromophenyl)-1-ethylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.95236 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.95964 157.1
[M+Na]+ 366.94158 167.4
[M-H]- 342.94508 166.1
[M+NH4]+ 361.98618 175.7
[M+K]+ 382.91552 151.8
[M+H-H2O]+ 326.94962 164.0
[M+HCOO]- 388.95056 173.6
[M+CH3COO]- 402.96621 212.9
[M+Na-2H]- 364.92703 161.4
[M]+ 343.95181 189.8
[M]- 343.95291 189.8
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

No patent data available for this compound.