CID 61944896

5-amino-2-bromo-n-cyclopropylbenzamide

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
C1CC1NC(=O)C2=C(C=CC(=C2)N)Br
InChI
InChI=1S/C10H11BrN2O/c11-9-4-1-6(12)5-8(9)10(14)13-7-2-3-7/h1,4-5,7H,2-3,12H2,(H,13,14)
InChIKey
QJRUWRSQRBODQJ-UHFFFAOYSA-N
Compound name
5-amino-2-bromo-N-cyclopropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00548 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01276 145.1
[M+Na]+ 276.99470 157.0
[M-H]- 252.99820 154.7
[M+NH4]+ 272.03930 160.6
[M+K]+ 292.96864 144.3
[M+H-H2O]+ 237.00274 143.5
[M+HCOO]- 299.00368 167.9
[M+CH3COO]- 313.01933 197.9
[M+Na-2H]- 274.98015 151.2
[M]+ 254.00493 162.6
[M]- 254.00603 162.6
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

No patent data available for this compound.