CID 57857968

39255-60-2

Structural Information

Molecular Formula
C10H10BrN3
SMILES
CN(C)C=NC1=C(C=C(C=C1)Br)C#N
InChI
InChI=1S/C10H10BrN3/c1-14(2)7-13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,1-2H3
InChIKey
ZGEYANFICVYJSY-UHFFFAOYSA-N
Compound name
N'-(4-bromo-2-cyanophenyl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

251.00581 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.013086 145.0
[M+Na]+ 273.995028 157.6
[M-H]- 249.998534 151.6
[M+NH4]+ 269.039633 164.2
[M+K]+ 289.968968 146.9
[M+H-H2O]+ 234.003070 136.5
[M+HCOO]- 296.004011 168.5
[M+CH3COO]- 310.019661 211.3
[M+Na-2H]- 271.980476 151.6
[M]+ 251.00526142 157.9
[M]- 251.00635858 157.9
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