CID 165987528

6-bromo-4-fluoro-1-methyl-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C8H7BrFN3
SMILES
CN1C2=C(C(=CC(=C2)Br)F)N=C1N
InChI
InChI=1S/C8H7BrFN3/c1-13-6-3-4(9)2-5(10)7(6)12-8(13)11/h2-3H,1H3,(H2,11,12)
InChIKey
CFJBYTLGCVMZRQ-UHFFFAOYSA-N
Compound name
6-bromo-4-fluoro-1-methylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98074 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.98802 142.0
[M+Na]+ 265.96996 157.9
[M-H]- 241.97346 146.5
[M+NH4]+ 261.01456 163.9
[M+K]+ 281.94390 145.6
[M+H-H2O]+ 225.97800 140.6
[M+HCOO]- 287.97894 163.3
[M+CH3COO]- 301.99459 157.8
[M+Na-2H]- 263.95541 149.1
[M]+ 242.98019 160.9
[M]- 242.98129 160.9
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.