CID 9589551

2-furaldehyde, 4-(p-bromophenyl)semicarbazone

Structural Information

Molecular Formula
C12H10BrN3O2
SMILES
C1=COC(=C1)/C=N/NC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H10BrN3O2/c13-9-3-5-10(6-4-9)15-12(17)16-14-8-11-2-1-7-18-11/h1-8H,(H2,15,16,17)/b14-8+
InChIKey
UAIJGAUYEJXSGX-RIYZIHGNSA-N
Compound name
1-(4-bromophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.99564 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.00292 161.5
[M+Na]+ 329.98486 170.6
[M-H]- 305.98836 172.3
[M+NH4]+ 325.02946 179.7
[M+K]+ 345.95880 160.3
[M+H-H2O]+ 289.99290 158.5
[M+HCOO]- 351.99384 187.6
[M+CH3COO]- 366.00949 204.8
[M+Na-2H]- 327.97031 169.0
[M]+ 306.99509 180.1
[M]- 306.99619 180.1
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

No patent data available for this compound.