CID 96579

1233-90-5

Structural Information

Molecular Formula
C17H17BrClFN2
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)Br)N(CCF)CCCl
InChI
InChI=1S/C17H17BrClFN2/c18-15-3-5-16(6-4-15)21-13-14-1-7-17(8-2-14)22(11-9-19)12-10-20/h1-8,13H,9-12H2
InChIKey
IZTDVWPJTVBVGE-UHFFFAOYSA-N
Compound name
4-[(4-bromophenyl)iminomethyl]-N-(2-chloroethyl)-N-(2-fluoroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.02478 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.03206 181.0
[M+Na]+ 405.01400 191.2
[M-H]- 381.01750 190.4
[M+NH4]+ 400.05860 198.1
[M+K]+ 420.98794 176.9
[M+H-H2O]+ 365.02204 177.6
[M+HCOO]- 427.02298 200.2
[M+CH3COO]- 441.03863 221.5
[M+Na-2H]- 402.99945 185.8
[M]+ 382.02423 202.2
[M]- 382.02533 202.2
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.