CID 317648

Nsc250803

Structural Information

Molecular Formula
C14H12BrNO
SMILES
CC1=CC(=C(C=C1)N=CC2=CC=CC=C2O)Br
InChI
InChI=1S/C14H12BrNO/c1-10-6-7-13(12(15)8-10)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3
InChIKey
BBAWSCZELJHBAJ-UHFFFAOYSA-N
Compound name
2-[(2-bromo-4-methylphenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.01022 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.01750 156.3
[M+Na]+ 311.99944 167.8
[M-H]- 288.00294 165.8
[M+NH4]+ 307.04404 175.6
[M+K]+ 327.97338 155.3
[M+H-H2O]+ 272.00748 155.0
[M+HCOO]- 334.00842 179.3
[M+CH3COO]- 348.02407 200.1
[M+Na-2H]- 309.98489 163.3
[M]+ 289.00967 175.0
[M]- 289.01077 175.0
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.