CID 137698973

3-bromo-5-fluoro-n1-methylbenzene-1,2-diamine

Structural Information

Molecular Formula
C7H8BrFN2
SMILES
CNC1=C(C(=CC(=C1)F)Br)N
InChI
InChI=1S/C7H8BrFN2/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3,11H,10H2,1H3
InChIKey
KPTPEMIBVRQYTN-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoro-1-N-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.98549 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.99277 137.2
[M+Na]+ 240.97471 149.3
[M-H]- 216.97821 142.3
[M+NH4]+ 236.01931 158.8
[M+K]+ 256.94865 137.2
[M+H-H2O]+ 200.98275 135.6
[M+HCOO]- 262.98369 159.8
[M+CH3COO]- 276.99934 190.5
[M+Na-2H]- 238.96016 143.8
[M]+ 217.98494 152.2
[M]- 217.98604 152.2
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.