CID 9649487

146462-28-4

Structural Information

Molecular Formula
C11H8BrN3
SMILES
C1=CN=C(N=C1)/N=C/C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H8BrN3/c12-10-4-2-9(3-5-10)8-15-11-13-6-1-7-14-11/h1-8H/b15-8+
InChIKey
WEVHFUXNMFWXSL-OVCLIPMQSA-N
Compound name
(E)-1-(4-bromophenyl)-N-pyrimidin-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.99017 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.99745 145.3
[M+Na]+ 283.97939 156.9
[M-H]- 259.98289 153.2
[M+NH4]+ 279.02399 163.3
[M+K]+ 299.95333 145.1
[M+H-H2O]+ 243.98743 143.0
[M+HCOO]- 305.98837 168.2
[M+CH3COO]- 320.00402 160.1
[M+Na-2H]- 281.96484 156.3
[M]+ 260.98962 163.8
[M]- 260.99072 163.8
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.