CID 82616096

2839156-85-1

Structural Information

Molecular Formula
C7H7BrFNO
SMILES
C1=C(C=C(C(=C1CN)O)F)Br
InChI
InChI=1S/C7H7BrFNO/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,11H,3,10H2
InChIKey
POQIEXKXYXSCSB-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-4-bromo-6-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.9695 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.976776 137.0
[M+Na]+ 241.958718 149.5
[M-H]- 217.962224 141.0
[M+NH4]+ 237.003323 158.3
[M+K]+ 257.932658 137.4
[M+H-H2O]+ 201.966760 136.3
[M+HCOO]- 263.967701 157.6
[M+CH3COO]- 277.983351 185.4
[M+Na-2H]- 239.944166 143.0
[M]+ 218.96895142 152.5
[M]- 218.97004858 152.5
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.