CID 213776

27033-93-8

Structural Information

Molecular Formula
C11H12BrFN2
SMILES
CN1CCCC1=NC2=C(C=C(C=C2)F)Br
InChI
InChI=1S/C11H12BrFN2/c1-15-6-2-3-11(15)14-10-5-4-8(13)7-9(10)12/h4-5,7H,2-3,6H2,1H3
InChIKey
VGNFHHDUULRIHJ-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-fluorophenyl)-1-methylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.01678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.02406 153.5
[M+Na]+ 293.00600 165.2
[M-H]- 269.00950 161.6
[M+NH4]+ 288.05060 174.7
[M+K]+ 308.97994 153.6
[M+H-H2O]+ 253.01404 151.4
[M+HCOO]- 315.01498 174.8
[M+CH3COO]- 329.03063 197.7
[M+Na-2H]- 290.99145 157.7
[M]+ 270.01623 169.2
[M]- 270.01733 169.2
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.