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

24
Patents

251.00581 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01309 145.0
[M+Na]+ 273.99503 157.6
[M-H]- 249.99853 151.6
[M+NH4]+ 269.03963 164.2
[M+K]+ 289.96897 146.9
[M+H-H2O]+ 234.00307 136.5
[M+HCOO]- 296.00401 168.5
[M+CH3COO]- 310.01966 211.3
[M+Na-2H]- 271.98048 151.6
[M]+ 251.00526 157.9
[M]- 251.00636 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