CID 27838720

N-(2-bromo-3-(phenylimino)propenyl)aniline

Structural Information

Molecular Formula
C15H13BrN2
SMILES
C1=CC=C(C=C1)N/C=C(\C=NC2=CC=CC=C2)/Br
InChI
InChI=1S/C15H13BrN2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-12,17H/b13-11+,18-12?
InChIKey
NQHUBRZRRUTAGG-OWISRODJSA-N
Compound name
N-[(E)-2-bromo-3-phenyliminoprop-1-enyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.0262 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03348 160.8
[M+Na]+ 323.01542 168.9
[M-H]- 299.01892 170.3
[M+NH4]+ 318.06002 179.0
[M+K]+ 338.98936 156.1
[M+H-H2O]+ 283.02346 158.4
[M+HCOO]- 345.02440 184.9
[M+CH3COO]- 359.04005 204.2
[M+Na-2H]- 321.00087 168.9
[M]+ 300.02565 177.1
[M]- 300.02675 177.1
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

patents stripe