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]+ 219.97678 137.0
[M+Na]+ 241.95872 149.5
[M-H]- 217.96222 141.0
[M+NH4]+ 237.00332 158.3
[M+K]+ 257.93266 137.4
[M+H-H2O]+ 201.96676 136.3
[M+HCOO]- 263.96770 157.6
[M+CH3COO]- 277.98335 185.4
[M+Na-2H]- 239.94417 143.0
[M]+ 218.96895 152.5
[M]- 218.97005 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.