CID 3457895

3-bromo-n-hydroxy-benzamidine

Structural Information

Molecular Formula
C7H7BrN2O
SMILES
C1=CC(=CC(=C1)Br)C(=NO)N
InChI
InChI=1S/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,(H2,9,10)
InChIKey
NQFJSTMFTXNUKP-UHFFFAOYSA-N
Compound name
3-bromo-N'-hydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

213.97418 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98146 136.1
[M+Na]+ 236.96340 146.4
[M-H]- 212.96690 142.0
[M+NH4]+ 232.00800 157.2
[M+K]+ 252.93734 135.2
[M+H-H2O]+ 196.97144 135.0
[M+HCOO]- 258.97238 159.2
[M+CH3COO]- 272.98803 187.1
[M+Na-2H]- 234.94885 143.6
[M]+ 213.97363 151.6
[M]- 213.97473 151.6
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