CID 3039755

Brn 1482955

Structural Information

Molecular Formula
C14H16BrClN2
SMILES
CC(=CN1CCCC1=NC2=C(C=C(C=C2)Cl)Br)C
InChI
InChI=1S/C14H16BrClN2/c1-10(2)9-18-7-3-4-14(18)17-13-6-5-11(16)8-12(13)15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey
GBURQSXZEVKGCV-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-chlorophenyl)-1-(2-methylprop-1-enyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.01855 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.02583 169.9
[M+Na]+ 349.00777 181.4
[M-H]- 325.01127 178.7
[M+NH4]+ 344.05237 189.8
[M+K]+ 364.98171 167.4
[M+H-H2O]+ 309.01581 168.7
[M+HCOO]- 371.01675 185.9
[M+CH3COO]- 385.03240 206.4
[M+Na-2H]- 346.99322 171.4
[M]+ 326.01800 188.1
[M]- 326.01910 188.1
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.