CID 20434718

1-(3-bromophenyl)guanidine

Structural Information

Molecular Formula
C7H8BrN3
SMILES
C1=CC(=CC(=C1)Br)N=C(N)N
InChI
InChI=1S/C7H8BrN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKey
UPCKPUWKMOWDFJ-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

212.99016 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.997436 136.7
[M+Na]+ 235.979378 146.6
[M-H]- 211.982884 143.2
[M+NH4]+ 231.023983 157.9
[M+K]+ 251.953318 135.2
[M+H-H2O]+ 195.987420 134.7
[M+HCOO]- 257.988361 161.3
[M+CH3COO]- 272.004011 191.7
[M+Na-2H]- 233.964826 143.8
[M]+ 212.98961142 150.8
[M]- 212.99070858 150.8
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