CID 16773111

1727-08-8

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1=CC(=CC=C1CNN)Br
InChI
InChI=1S/C7H9BrN2/c8-7-3-1-6(2-4-7)5-10-9/h1-4,10H,5,9H2
InChIKey
SABLROJJEJTWTE-UHFFFAOYSA-N
Compound name
(4-bromophenyl)methylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

199.9949 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 133.6
[M+Na]+ 222.98412 144.0
[M-H]- 198.98762 139.4
[M+NH4]+ 218.02872 155.4
[M+K]+ 238.95806 132.4
[M+H-H2O]+ 182.99216 132.7
[M+HCOO]- 244.99310 157.3
[M+CH3COO]- 259.00875 185.8
[M+Na-2H]- 220.96957 142.3
[M]+ 199.99435 149.1
[M]- 199.99545 149.1
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

patents stripe