CID 21341375

202805-69-4

Structural Information

Molecular Formula
C8H9BrN2
SMILES
CC1=C(C=CC(=C1)C(=N)N)Br
InChI
InChI=1S/C8H9BrN2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H3,10,11)
InChIKey
QTJRXRLKEVFNPH-UHFFFAOYSA-N
Compound name
4-bromo-3-methylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.9949 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 137.7
[M+Na]+ 234.98412 148.5
[M-H]- 210.98762 143.8
[M+NH4]+ 230.02872 159.2
[M+K]+ 250.95806 136.6
[M+H-H2O]+ 194.99216 136.8
[M+HCOO]- 256.99310 160.2
[M+CH3COO]- 271.00875 189.7
[M+Na-2H]- 232.96957 143.9
[M]+ 211.99435 152.6
[M]- 211.99545 152.6
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